[(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 4-chlorobenzoate

Formula:C18H11N2O2ClF6 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 4-chlorobenzoate is not a drug-like molecule.

MolName	[(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 4-chlorobenzoate
MolecularFormula	C18H11N2O2ClF6
Smiles	N/C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N/OC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C18H11ClF6N2O2/c19-14-4-2-11(3-5-14)16(28)29-27-15(26)6-1-10-7-12(17(20,21)22)9-13(8-10)18(23,24)25/h1-9H,(H2,26,27)
InChIK	FYKFTSNWPPBNNT-UHFFFAOYSA-N
TotalMolweight	436.738
Molweight	436.738
MonoisotopicMass	436.041323
CLogP	5.7039
CLogS	-6.198
H Acceptors	4
H Donors	1
TotalSurfaceArea	293.1
Relative PSA	0.16998
PolarSurfaceArea	64.68
Druglikeness	-10.806
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	10
StereoCon

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1 - [(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 4-chlorobenzoate | 2 - [(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 4-chlorobenzoate

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