[(E)-[amino(pyrazin-2-yl)methylidene]amino] 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate

Formula:C12H8N6O4 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino(pyrazin-2-yl)methylidene]amino] 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate is a drug-like molecule.

MolName	[(E)-[amino(pyrazin-2-yl)methylidene]amino] 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate
MolecularFormula	C12H8N6O4
Smiles	N/C(/c1nccnc1)=N/OC(c1cc2no[n+]([O-])c2cc1)=O
InChI	InChI=1S/C12H8N6O4/c13-11(9-6-14-3-4-15-9)17-21-12(19)7-1-2-10-8(5-7)16-22-18(10)20/h1-6H,(H2,13,17)
InChIK	RJFVAGJUVAFUSD-UHFFFAOYSA-N
TotalMolweight	300.234
Molweight	300.234
MonoisotopicMass	300.060704
CLogP	1.052
CLogS	-2.936
H Acceptors	10
H Donors	1
TotalSurfaceArea	214.88
Relative PSA	0.51703
PolarSurfaceArea	141.95
Druglikeness	-2.5027
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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