4-amino-N'-(4-nitroanilino)-1,2,5-oxadiazole-3-carboximidamide

Formula:C9H9N7O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N'-(4-nitroanilino)-1,2,5-oxadiazole-3-carboximidamide is a drug-like molecule.

MolName	4-amino-N'-(4-nitroanilino)-1,2,5-oxadiazole-3-carboximidamide
MolecularFormula	C9H9N7O3
Smiles	N/C(/c1nonc1N)=N\Nc(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C9H9N7O3/c10-8(7-9(11)15-19-14-7)13-12-5-1-3-6(4-2-5)16(17)18/h1-4,12H,(H2,10,13)(H2,11,15)
InChIK	GRIGOSLFQJLWIR-UHFFFAOYSA-N
TotalMolweight	263.216
Molweight	263.216
MonoisotopicMass	263.076688
CLogP	1.3127
CLogS	-2.242
H Acceptors	10
H Donors	3
TotalSurfaceArea	195.37
Relative PSA	0.61412
PolarSurfaceArea	161.17
Druglikeness	-3.178
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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