4-nitro-2-[(Z)-[[2-(1,2,4-triazol-1-yl)acetyl]hydrazinylidene]methyl]phenolate

Formula:C11H9N6O4 Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-nitro-2-[(Z)-[[2-(1,2,4-triazol-1-yl)acetyl]hydrazinylidene]methyl]phenolate is a drug-like molecule.

MolName	4-nitro-2-[(Z)-[[2-(1,2,4-triazol-1-yl)acetyl]hydrazinylidene]methyl]phenolate
MolecularFormula	C11H9N6O4
Smiles	[O-]c(cc1)c(/C=N\NC(Cn2ncnc2)=O)cc1[N+]([O-])=O
InChI	InChI=1S/C11H10N6O4/c18-10-2-1-9(17(20)21)3-8(10)4-13-15-11(19)5-16-7-12-6-14-16/h1-4,6-7,18H,5H2,(H,15,19)/p-1
InChIK	XATIRSXRTZVQLA-UHFFFAOYSA-M
TotalMolweight	289.23
Molweight	289.23
MonoisotopicMass	289.068529
CLogP	-2.2105
CLogS	-2.496
H Acceptors	10
H Donors	1
TotalSurfaceArea	218.67
Relative PSA	0.50085
PolarSurfaceArea	141.05
Druglikeness	1.2914
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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