(E)-3-(2-chloro-6-fluorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide

Formula:C17H8N2OCl2F4 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(2-chloro-6-fluorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
MolecularFormula	C17H8N2OCl2F4
Smiles	N#C/C(/C(Nc(cc(C(F)(F)F)cc1)c1Cl)=O)=C\c(c(F)ccc1)c1Cl
InChI	InChI=1S/C17H8Cl2F4N2O/c18-12-2-1-3-14(20)11(12)6-9(8-24)16(26)25-15-7-10(17(21,22)23)4-5-13(15)19/h1-7H,(H,25,26)
InChIK	QVKPHXVRBXLWGB-UHFFFAOYSA-N
TotalMolweight	403.162
Molweight	403.162
MonoisotopicMass	401.994979
CLogP	5.1494
CLogS	-6.334
H Acceptors	3
H Donors	1
TotalSurfaceArea	275.3
Relative PSA	0.13825
PolarSurfaceArea	52.89
Druglikeness	-8.8915
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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