(Z)-N-benzyl-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide

Formula:C17H12N2O2I2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-N-benzyl-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(Z)-N-benzyl-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide
MolecularFormula	C17H12N2O2I2
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C/c1cc(I)cc(I)c1O
InChI	InChI=1S/C17H12I2N2O2/c18-14-7-12(16(22)15(19)8-14)6-13(9-20)17(23)21-10-11-4-2-1-3-5-11/h1-8,22H,10H2,(H,21,23)
InChIK	ZNTYMSZKQCVVSG-UHFFFAOYSA-N
TotalMolweight	530.094
Molweight	530.094
MonoisotopicMass	529.898824
CLogP	3.2262
CLogS	-5.322
H Acceptors	4
H Donors	2
TotalSurfaceArea	281.32
Relative PSA	0.18186
PolarSurfaceArea	73.12
Druglikeness	-0.80986
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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