(E)-2-cyano-N-(4-iodophenyl)-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide

Formula:C27H19N2O2I Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-(4-iodophenyl)-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(4-iodophenyl)-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
MolecularFormula	C27H19N2O2I
Smiles	N#C/C(/C(Nc(cc1)ccc1I)=O)=C\c(cccc1)c1OCc1cccc2ccccc12
InChI	InChI=1S/C27H19IN2O2/c28-23-12-14-24(15-13-23)30-27(31)22(17-29)16-20-7-2-4-11-26(20)32-18-21-9-5-8-19-6-1-3-10-25(19)21/h1-16H,18H2,(H,30,31)
InChIK	WSBRTLOPWTVHTF-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
Symmetricatoms	2
Amides	1
StereoCon

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