4-chloro-2-nitro-6-[(Z)-1,2,4-triazol-4-yliminomethyl]phenolate

Formula:C9H5N5O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-2-nitro-6-[(Z)-1,2,4-triazol-4-yliminomethyl]phenolate is a drug-like molecule.

MolName	4-chloro-2-nitro-6-[(Z)-1,2,4-triazol-4-yliminomethyl]phenolate
MolecularFormula	C9H5N5O3Cl
Smiles	c1c(cc(c(c1/C=N\n2cnnc2)[O-])[N+](=O)[O-])Cl
InChI	InChI=1S/C9H6ClN5O3/c10-7-1-6(3-13-14-4-11-12-5-14)9(16)8(2-7)15(17)18/h1-5,16H/p-1
InChIK	QJOLPNZPBHGSTI-UHFFFAOYSA-M
TotalMolweight	266.624
Molweight	266.624
MonoisotopicMass	266.008092
CLogP	-1.011
CLogS	-5.21
H Acceptors	8
TotalSurfaceArea	191.12
Relative PSA	0.44485
PolarSurfaceArea	111.95
Druglikeness	-1.7072
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
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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