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

Formula:C13H9N2O2ClF6 Mutagenic:high Tumorigenic:high Reproductive Effective:high [(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 2-chloroacetate is a drug-like molecule.

MolName	[(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] 2-chloroacetate
MolecularFormula	C13H9N2O2ClF6
Smiles	N/C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N/OC(CCl)=O
InChI	InChI=1S/C13H9ClF6N2O2/c14-6-11(23)24-22-10(21)2-1-7-3-8(12(15,16)17)5-9(4-7)13(18,19)20/h1-5H,6H2,(H2,21,22)
InChIK	NBYDQZWYRNRXOT-UHFFFAOYSA-N
TotalMolweight	374.667
Molweight	374.667
MonoisotopicMass	374.025673
CLogP	3.8834
CLogS	-4.693
H Acceptors	4
H Donors	1
TotalSurfaceArea	247.1
Relative PSA	0.20162
PolarSurfaceArea	64.68
Druglikeness	-12.156
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	8
StereoCon

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

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