N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)nitramide

Formula:C3H7N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)nitramide is a drug-like molecule.

MolName	N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)nitramide
MolecularFormula	C3H7N4O2
Smiles	[O-][N+](NC1=[NH+]CCN1)=O
InChI	InChI=1S/C3H6N4O2/c8-7(9)6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)/p+1
InChIK	DJZWNSRUEJSEEB-UHFFFAOYSA-O
TotalMolweight	131.115
Molweight	131.115
MonoisotopicMass	131.056901
CLogP	-1.718
CLogS	-1.725
H Acceptors	6
H Donors	3
TotalSurfaceArea	85.57
Relative PSA	0.62335
PolarSurfaceArea	83.85
Druglikeness	-3.0409
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	N-nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	9
NonCHAtoms	6
Electronegative Atoms	6
Rings Closures	1
Small Rings	1
Sp3Atoms	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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