4-[(Z)-benzylideneamino]-3-[(2Z)-2-benzylidenehydrazinyl]-1H-1,2,4-triazol-5-one

Formula:C16H14N6O Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-[(Z)-benzylideneamino]-3-[(2Z)-2-benzylidenehydrazinyl]-1H-1,2,4-triazol-5-one is a drug-like molecule.

MolName	4-[(Z)-benzylideneamino]-3-[(2Z)-2-benzylidenehydrazinyl]-1H-1,2,4-triazol-5-one
MolecularFormula	C16H14N6O
Smiles	O=C(NN=C1N/N=C\c2ccccc2)N1/N=C\c1ccccc1
InChI	InChI=1S/C16H14N6O/c23-16-21-20-15(19-17-11-13-7-3-1-4-8-13)22(16)18-12-14-9-5-2-6-10-14/h1-12H,(H,19,20)(H,21,23)
InChIK	PCIMBJDKKMXNCX-UHFFFAOYSA-N
TotalMolweight	306.328
Molweight	306.328
MonoisotopicMass	306.122909
CLogP	3.3178
CLogS	-5.476
H Acceptors	7
H Donors	2
TotalSurfaceArea	242.98
Relative PSA	0.30472
PolarSurfaceArea	81.45
Druglikeness	4.8829
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
StereoCon

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