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

Formula:C27H19N2O2Cl Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-N-(4-chlorophenyl)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-(4-chlorophenyl)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
MolecularFormula	C27H19N2O2Cl
Smiles	N#C/C(/C(Nc(cc1)ccc1Cl)=O)=C\c(cccc1)c1OCc1cccc2ccccc12
InChI	InChI=1S/C27H19ClN2O2/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	OKWIUNHJAFJXIQ-UHFFFAOYSA-N
TotalMolweight	438.913
Molweight	438.913
MonoisotopicMass	438.113505
CLogP	6.1368
CLogS	-7.453
H Acceptors	4
H Donors	1
TotalSurfaceArea	342.19
Relative PSA	0.14045
PolarSurfaceArea	62.12
Druglikeness	-1.9128
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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