SFX
  Mrv0541 02241214102D          

 23 24  0  0  0  0            999 V2000
   -4.3542    0.7777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6397    0.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2272    1.0796    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3616   -0.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7905   -0.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6471    1.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  9  8  2  0  0  0  0
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M  END
> <DATABASE_ID>
DB08544

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@](CCNC)(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1

> <INCHI_KEY>
InChIKey=RTHCYVBBDHJXIQ-INIZCTEOSA-N

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
30.336612001287037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_EXACT_MASS>
309.134048818

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C17H18F3NO

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl[(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amine

> <ALOGPS_LOGP>
4.09

> <JCHEM_LOGP>
4.1732195433333334

> <ALOGPS_LOGS>
-5.26

> <JCHEM_MASS>
309.3261

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.80313944120745

> <JCHEM_POLAR_SURFACE_AREA>
21.259999999999998

> <JCHEM_REFRACTIVITY>
80.36750000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.70e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fluoxetine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB08544

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

$$$$