4-nitro-2-[(Z)-1,2,4-triazol-4-yliminomethyl]naphthalen-1-olate

Formula:C13H8N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-2-[(Z)-1,2,4-triazol-4-yliminomethyl]naphthalen-1-olate is a drug-like molecule.

MolName	4-nitro-2-[(Z)-1,2,4-triazol-4-yliminomethyl]naphthalen-1-olate
MolecularFormula	C13H8N5O3
Smiles	[O-]c(c1ccccc11)c(/C=N\n2cnnc2)cc1[N+]([O-])=O
InChI	InChI=1S/C13H9N5O3/c19-13-9(6-16-17-7-14-15-8-17)5-12(18(20)21)10-3-1-2-4-11(10)13/h1-8,19H/p-1
InChIK	YWXZXJHZQPHIJB-UHFFFAOYSA-M
TotalMolweight	282.239
Molweight	282.239
MonoisotopicMass	282.062715
CLogP	-0.4226
CLogS	-6.08
H Acceptors	8
TotalSurfaceArea	210.3
Relative PSA	0.40428
PolarSurfaceArea	111.95
Druglikeness	-1.7197
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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