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

Formula:C27H22N4O Mutagenic:none Tumorigenic:high Reproductive Effective:none 2,5-dibenzyl-4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazol-3-one is not a drug-like molecule.

MolName	2,5-dibenzyl-4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazol-3-one
MolecularFormula	C27H22N4O
Smiles	O=C(N(Cc1ccccc1)N=C1Cc2ccccc2)N1/N=C\c1cccc2ccccc12
InChI	InChI=1S/C27H22N4O/c32-27-30(20-22-12-5-2-6-13-22)29-26(18-21-10-3-1-4-11-21)31(27)28-19-24-16-9-15-23-14-7-8-17-25(23)24/h1-17,19H,18,20H2
InChIK	BPICPXUJPPWOLH-UHFFFAOYSA-N
TotalMolweight	418.499
Molweight	418.499
MonoisotopicMass	418.179361
CLogP	5.5881
CLogS	-6.756
H Acceptors	5
TotalSurfaceArea	327.48
Relative PSA	0.13179
PolarSurfaceArea	48.27
Druglikeness	4.5126
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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