(E)-2-cyano-N-(2,4-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide

Formula:C16H8N2OCl4 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-(2,4-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(2,4-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide
MolecularFormula	C16H8N2OCl4
Smiles	N#C/C(/C(Nc(ccc(Cl)c1)c1Cl)=O)=C\c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C16H8Cl4N2O/c17-10-4-5-15(14(20)7-10)22-16(23)9(8-21)6-11-12(18)2-1-3-13(11)19/h1-7H,(H,22,23)
InChIK	NPEASUHYIFLLIJ-UHFFFAOYSA-N
TotalMolweight	386.065
Molweight	386.065
MonoisotopicMass	383.939071
CLogP	5.4123
CLogS	-6.714
H Acceptors	3
H Donors	1
TotalSurfaceArea	270.33
Relative PSA	0.14079
PolarSurfaceArea	52.89
Druglikeness	-1.7015
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	3
Amides	1
StereoCon

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