Mrv1652303182019522D          

 22 23  0  0  0  0            999 V2000
10000.9969 9999.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.2827 9999.8008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.5691 9999.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.282710000.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.850110001.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7127 9999.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.141910001.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.564910000.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.262110001.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.438110001.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.140610001.0371    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.426010000.6246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.4260 9999.7995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.1406 9999.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8551 9999.7995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.855110000.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.138410000.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.423910001.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.709310000.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7093 9999.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.4238 9999.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.1384 9999.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  1  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
 11 16  1  0  0  0  0
 13 14  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
  1 20  1  0  0  0  0
 17  5  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 15  1  0  0  0  0
 13  6  1  1  0  0  0
 11  7  1  1  0  0  0
M  END
> <DATABASE_ID>
BMDB0001529

> <DATABASE_NAME>
bmdb

> <SMILES>
C[C@H](CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15-,16-,17+/m0/s1

> <INCHI_KEY>
RYAUSSKQMZRMAI-YESZJQIVSA-N

> <FORMULA>
C20H33NO

> <MOLECULAR_WEIGHT>
303.49

> <EXACT_MASS>
303.256214687

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
38.14551725600478

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,6S)-4-[(2S)-2-[(4-tert-butylphenyl)methyl]propyl]-2,6-dimethylmorpholine

> <ALOGPS_LOGP>
5.70

> <JCHEM_LOGP>
5.172551147666666

> <ALOGPS_LOGS>
-5.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.492169975590736

> <JCHEM_POLAR_SURFACE_AREA>
12.47

> <JCHEM_REFRACTIVITY>
95.0063

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.97e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
power task

> <JCHEM_VEBER_RULE>
1

> <BMDB_ID>
BMDB0001529

> <GENERIC_NAME>
Fenpropimorph

> <SYNONYMS>
(+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)-2,6-dimethylmorpholine; cis-2,6-dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine; cis-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine; cis-4-(3-(p-tert-butylphenyl)-2-methylpropyl)-2,6-dimethylmorpholine; cis-fenpropimorph; Corbel; Fenpropimorph; Forbel 750; Funbas; Mildofix; Mistral; Mistral T; Power task

$$$$