N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-(1,2,4-triazol-1-yl)acetamide

Formula:C13H13N5O Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-(1,2,4-triazol-1-yl)acetamide is a drug-like molecule.

MolName	N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-(1,2,4-triazol-1-yl)acetamide
MolecularFormula	C13H13N5O
Smiles	O=C(Cn1ncnc1)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C13H13N5O/c19-13(9-18-11-14-10-16-18)17-15-8-4-7-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,17,19)
InChIK	TXRDCERPMWTCNI-UHFFFAOYSA-N
TotalMolweight	255.28
Molweight	255.28
MonoisotopicMass	255.11201
CLogP	0.6531
CLogS	-2.624
H Acceptors	6
H Donors	1
TotalSurfaceArea	213.97
Relative PSA	0.30294
PolarSurfaceArea	72.17
Druglikeness	6.465
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.73684
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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