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

Formula:C27H18N2O2Cl2 Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-(3,4-dichlorophenyl)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(3,4-dichlorophenyl)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
MolecularFormula	C27H18N2O2Cl2
Smiles	N#C/C(/C(Nc(cc1)cc(Cl)c1Cl)=O)=C\c(cc1)ccc1OCc1cccc2ccccc12
InChI	InChI=1S/C27H18Cl2N2O2/c28-25-13-10-22(15-26(25)29)31-27(32)21(16-30)14-18-8-11-23(12-9-18)33-17-20-6-3-5-19-4-1-2-7-24(19)20/h1-15H,17H2,(H,31,32)
InChIK	XDOQZZIVYGXXPR-UHFFFAOYSA-N
TotalMolweight	473.358
Molweight	473.358
MonoisotopicMass	472.074532
CLogP	6.7428
CLogS	-8.189
H Acceptors	4
H Donors	1
TotalSurfaceArea	357.61
Relative PSA	0.13439
PolarSurfaceArea	62.12
Druglikeness	-1.9128
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
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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