(E)-2-cyano-N-(2,5-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide

Formula:C16H9N2OCl2I Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-2-cyano-N-(2,5-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(2,5-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide
MolecularFormula	C16H9N2OCl2I
Smiles	N#C/C(/C(Nc(cc(cc1)Cl)c1Cl)=O)=C\c(cccc1)c1I
InChI	InChI=1S/C16H9Cl2IN2O/c17-12-5-6-13(18)15(8-12)21-16(22)11(9-20)7-10-3-1-2-4-14(10)19/h1-8H,(H,21,22)
InChIK	PHQNSILKRKPDEZ-UHFFFAOYSA-N
TotalMolweight	443.066
Molweight	443.066
MonoisotopicMass	441.913665
CLogP	4.6374
CLogS	-6.258
H Acceptors	3
H Donors	1
TotalSurfaceArea	265.77
Relative PSA	0.14321
PolarSurfaceArea	52.89
Druglikeness	-1.1915
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Amides	1
StereoCon

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