(E)-2-cyano-N-(3-iodophenyl)-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide

Formula:C27H19N2O2I Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-(3-iodophenyl)-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(3-iodophenyl)-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
MolecularFormula	C27H19N2O2I
Smiles	N#C/C(/C(Nc1cccc(I)c1)=O)=C\c1cc(OCc2cccc3ccccc23)ccc1
InChI	InChI=1S/C27H19IN2O2/c28-23-10-5-11-24(16-23)30-27(31)22(17-29)14-19-6-3-12-25(15-19)32-18-21-9-4-8-20-7-1-2-13-26(20)21/h1-16H,18H2,(H,30,31)
InChIK	YVNQVDYIDNXTRG-UHFFFAOYSA-N
TotalMolweight	530.36
Molweight	530.36
MonoisotopicMass	530.049126
CLogP	5.9679
CLogS	-7.733
H Acceptors	4
H Donors	1
TotalSurfaceArea	353.05
Relative PSA	0.13613
PolarSurfaceArea	62.12
Druglikeness	-1.4708
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Amides	1
StereoCon

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