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

Formula:C13H12N6O3 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-(3-nitro-1,2,4-triazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-(3-nitro-1,2,4-triazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C13H12N6O3
Smiles	[O-][N+](c1nn(CC(N/N=C\C=C\c2ccccc2)=O)cn1)=O
InChI	InChI=1S/C13H12N6O3/c20-12(9-18-10-14-13(17-18)19(21)22)16-15-8-4-7-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,20)
InChIK	DBEHXIZRPDQDHC-UHFFFAOYSA-N
TotalMolweight	300.277
Molweight	300.277
MonoisotopicMass	300.097089
CLogP	0.101
CLogS	-3.355
H Acceptors	9
H Donors	1
TotalSurfaceArea	237.64
Relative PSA	0.40077
PolarSurfaceArea	117.99
Druglikeness	1.3769
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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