2-benzyl-5-[(4-chlorophenyl)methyl]-4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazol-3-one

Formula:C27H21N4OCl Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-benzyl-5-[(4-chlorophenyl)methyl]-4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazol-3-one is not a drug-like molecule.

MolName	2-benzyl-5-[(4-chlorophenyl)methyl]-4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazol-3-one
MolecularFormula	C27H21N4OCl
Smiles	O=C(N(Cc1ccccc1)N=C1Cc(cc2)ccc2Cl)N1/N=C\c1cccc2ccccc12
InChI	InChI=1S/C27H21ClN4O/c28-24-15-13-20(14-16-24)17-26-30-31(19-21-7-2-1-3-8-21)27(33)32(26)29-18-23-11-6-10-22-9-4-5-12-25(22)23/h1-16,18H,17,19H2
InChIK	CLHSQTNWOHESLV-UHFFFAOYSA-N
TotalMolweight	452.944
Molweight	452.944
MonoisotopicMass	452.140388
CLogP	6.1941
CLogS	-7.492
H Acceptors	5
TotalSurfaceArea	342.9
Relative PSA	0.12587
PolarSurfaceArea	48.27
Druglikeness	4.5415
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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