[(Z)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 2,3,3-trichloroprop-2-enoate

Formula:C14H7N2O2Cl3F6 Mutagenic:high Tumorigenic:low Reproductive Effective:high [(Z)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 2,3,3-trichloroprop-2-enoate is not a drug-like molecule.

MolName	[(Z)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 2,3,3-trichloroprop-2-enoate
MolecularFormula	C14H7N2O2Cl3F6
Smiles	N/C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N\OC(C(Cl)=C(Cl)Cl)=O
InChI	InChI=1S/C14H7Cl3F6N2O2/c15-10(11(16)17)12(26)27-25-9(24)2-1-6-3-7(13(18,19)20)5-8(4-6)14(21,22)23/h1-5H,(H2,24,25)
InChIK	FDDFINZVQSMYCF-UHFFFAOYSA-N
TotalMolweight	455.569
Molweight	455.569
MonoisotopicMass	453.947727
CLogP	5.7939
CLogS	-6.232
H Acceptors	4
H Donors	1
TotalSurfaceArea	287.1
Relative PSA	0.17353
PolarSurfaceArea	64.68
Druglikeness	-13.981
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	polar activated DB; 1,1-dihalo-alkene; 1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	9
StereoCon

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1 - [(Z)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 2,3,3-trichloroprop-2-enoate | 2 - [(Z)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 2,3,3-trichloroprop-2-enoate

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