[(E)-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino] 3,5-bis(trifluoromethyl)benzoate

Formula:C18H10NO2F9 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino] 3,5-bis(trifluoromethyl)benzoate is not a drug-like molecule.

MolName	[(E)-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino] 3,5-bis(trifluoromethyl)benzoate
MolecularFormula	C18H10NO2F9
Smiles	O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O/N=C(\Cc1ccccc1)/C(F)(F)F
InChI	InChI=1S/C18H10F9NO2/c19-16(20,21)12-7-11(8-13(9-12)17(22,23)24)15(29)30-28-14(18(25,26)27)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2
InChIK	CQPGCUFKSMXHIQ-UHFFFAOYSA-N
TotalMolweight	443.264
Molweight	443.264
MonoisotopicMass	443.056781
CLogP	6.3266
CLogS	-6.168
H Acceptors	3
TotalSurfaceArea	285.88
Relative PSA	0.12085
PolarSurfaceArea	38.66
Druglikeness	-12.051
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	12
StereoCon

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1 - [(E)-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino] 3,5-bis(trifluoromethyl)benzoate | 2 - [(E)-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino] 3,5-bis(trifluoromethyl)benzoate

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