(Z)-1-(2-chloro-5-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine

Formula:C9H6N5O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(2-chloro-5-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-(2-chloro-5-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C9H6N5O2Cl
Smiles	[O-][N+](c(cc1)cc(/C=N\n2cnnc2)c1Cl)=O
InChI	InChI=1S/C9H6ClN5O2/c10-9-2-1-8(15(16)17)3-7(9)4-13-14-5-11-12-6-14/h1-6H
InChIK	BXQQSGSTECUGAK-UHFFFAOYSA-N
TotalMolweight	251.633
Molweight	251.633
MonoisotopicMass	251.021002
CLogP	0.9127
CLogS	-5.506
H Acceptors	7
TotalSurfaceArea	183.59
Relative PSA	0.38532
PolarSurfaceArea	88.89
Druglikeness	-1.6614
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	8
Electronegative Atoms	8
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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