2-(2-amino-5-nitropyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone

Formula:C13H11N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-amino-5-nitropyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone is a drug-like molecule.

MolName	2-(2-amino-5-nitropyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone
MolecularFormula	C13H11N4O5
Smiles	Nc(cc1)[n+](CC(c2cc([N+]([O-])=O)ccc2)=O)cc1[N+]([O-])=O
InChI	InChI=1S/C13H10N4O5/c14-13-5-4-11(17(21)22)7-15(13)8-12(18)9-2-1-3-10(6-9)16(19)20/h1-7,14H,8H2/p+1
InChIK	HYVYMGWGDQMRPR-UHFFFAOYSA-O
TotalMolweight	303.253
Molweight	303.253
MonoisotopicMass	303.072946
CLogP	-4.6244
CLogS	-3.326
H Acceptors	9
H Donors	1
TotalSurfaceArea	217.69
Relative PSA	0.42221
PolarSurfaceArea	138.61
Druglikeness	-6.0777
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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