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

Formula:C27H18N3O4Cl Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
MolecularFormula	C27H18N3O4Cl
Smiles	N#C/C(/C(Nc(ccc([N+]([O-])=O)c1)c1Cl)=O)=C\c(cc1)ccc1OCc1cccc2ccccc12
InChI	InChI=1S/C27H18ClN3O4/c28-25-15-22(31(33)34)10-13-26(25)30-27(32)21(16-29)14-18-8-11-23(12-9-18)35-17-20-6-3-5-19-4-1-2-7-24(19)20/h1-15H,17H2,(H,30,32)
InChIK	YNPKGAYDQZETPH-UHFFFAOYSA-N
TotalMolweight	483.91
Molweight	483.91
MonoisotopicMass	483.098584
CLogP	5.2152
CLogS	-7.913
H Acceptors	7
H Donors	1
TotalSurfaceArea	365.86
Relative PSA	0.21451
PolarSurfaceArea	107.94
Druglikeness	-6.9451
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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