3-phenyl-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazol-5-one

Formula:C17H14N4O Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-phenyl-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazol-5-one is a drug-like molecule.

MolName	3-phenyl-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazol-5-one
MolecularFormula	C17H14N4O
Smiles	O=C(NN=C1c2ccccc2)N1/N=C\C=C\c1ccccc1
InChI	InChI=1S/C17H14N4O/c22-17-20-19-16(15-11-5-2-6-12-15)21(17)18-13-7-10-14-8-3-1-4-9-14/h1-13H,(H,20,22)
InChIK	VUVIYOICCIVIJZ-UHFFFAOYSA-N
TotalMolweight	290.325
Molweight	290.325
MonoisotopicMass	290.116761
CLogP	2.9528
CLogS	-4.659
H Acceptors	5
H Donors	1
TotalSurfaceArea	233.26
Relative PSA	0.21894
PolarSurfaceArea	57.06
Druglikeness	4.6001
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
StereoCon

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1 - 3-phenyl-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazol-5-one | 2 - 3-phenyl-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazol-5-one

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