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[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

Formula:C20H12N2O2F6S Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is not a drug-like molecule.
MolName[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
MolecularFormulaC20H12N2O2F6S
SmilesN/C(/c1cc(C(F)(F)F)ccc1)=N/OC(c1cc(-c2ccccc2)c(C(F)(F)F)s1)=O
InChIInChI=1S/C20H12F6N2O2S/c21-19(22,23)13-8-4-7-12(9-13)17(27)28-30-18(29)15-10-14(11-5-2-1-3-6-11)16(31-15)20(24,25)26/h1-10H,(H2,27,28)
InChIKDCORTDBPPWPWJI-UHFFFAOYSA-N
TotalMolweight458.381
Molweight458.381
MonoisotopicMass458.052366
CLogP6.3767
CLogS-7.298
H Acceptors4
H Donors1
TotalSurfaceArea306.88
Relative PSA0.22869
PolarSurfaceArea92.92
Druglikeness-7.7086
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.51613
Fragments1
Non HAtoms31
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms3
Symmetricatoms6
StereoCon

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