(Z)-1-(4-nitrophenyl)-N-(1,2,4-triazol-1-yl)methanimine

Formula:C9H7N5O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(4-nitrophenyl)-N-(1,2,4-triazol-1-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-(4-nitrophenyl)-N-(1,2,4-triazol-1-yl)methanimine
MolecularFormula	C9H7N5O2
Smiles	[O-][N+](c1ccc(/C=N\n2ncnc2)cc1)=O
InChI	InChI=1S/C9H7N5O2/c15-14(16)9-3-1-8(2-4-9)5-11-13-7-10-6-12-13/h1-7H
InChIK	NUTHVJNTMVNENC-UHFFFAOYSA-N
TotalMolweight	217.188
Molweight	217.188
MonoisotopicMass	217.059975
CLogP	0.7592
CLogS	-3.713
H Acceptors	7
TotalSurfaceArea	168.17
Relative PSA	0.42065
PolarSurfaceArea	88.89
Druglikeness	-2.0189
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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