[(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 2,6-difluorobenzoate

Formula:C18H10N2O2F8 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 2,6-difluorobenzoate is not a drug-like molecule.

MolName	[(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 2,6-difluorobenzoate
MolecularFormula	C18H10N2O2F8
Smiles	N/C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N/OC(c(c(F)ccc1)c1F)=O
InChI	InChI=1S/C18H10F8N2O2/c19-12-2-1-3-13(20)15(12)16(29)30-28-14(27)5-4-9-6-10(17(21,22)23)8-11(7-9)18(24,25)26/h1-8H,(H2,27,28)
InChIK	WUFYRKZPKXRHCD-UHFFFAOYSA-N
TotalMolweight	438.273
Molweight	438.273
MonoisotopicMass	438.061452
CLogP	5.2995
CLogS	-6.09
H Acceptors	4
H Donors	1
TotalSurfaceArea	290.38
Relative PSA	0.17157
PolarSurfaceArea	64.68
Druglikeness	-10.9
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	11
StereoCon

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1 - [(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 2,6-difluorobenzoate | 2 - [(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 2,6-difluorobenzoate

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