5-nitro-1,3-dihydroimidazo[4,5-b]pyridin-2-one

Formula:C6H4N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-1,3-dihydroimidazo[4,5-b]pyridin-2-one is a drug-like molecule.

MolName	5-nitro-1,3-dihydroimidazo[4,5-b]pyridin-2-one
MolecularFormula	C6H4N4O3
Smiles	[O-][N+](c(cc1)nc(N2)c1NC2=O)=O
InChI	InChI=1S/C6H4N4O3/c11-6-7-3-1-2-4(10(12)13)8-5(3)9-6/h1-2H,(H2,7,8,9,11)
InChIK	TXAMXRHQYUGXOV-UHFFFAOYSA-N
TotalMolweight	180.123
Molweight	180.123
MonoisotopicMass	180.028341
CLogP	-0.6684
CLogS	-3.273
H Acceptors	7
H Donors	2
TotalSurfaceArea	122.86
Relative PSA	0.62958
PolarSurfaceArea	99.84
Druglikeness	-5.1942
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	13
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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