2-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-4-nitrophenolate

Formula:C11H7N4O5 Mutagenic:none Tumorigenic:low Reproductive Effective:none 2-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-4-nitrophenolate is a drug-like molecule.

MolName	2-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-4-nitrophenolate
MolecularFormula	C11H7N4O5
Smiles	[O-]c(cc1)c(/C=N/C(C(N2)=O)=CNC2=O)cc1[N+]([O-])=O
InChI	InChI=1S/C11H8N4O5/c16-9-2-1-7(15(19)20)3-6(9)4-12-8-5-13-11(18)14-10(8)17/h1-5,16H,(H2,13,14,17,18)/p-1
InChIK	ZUAHEBJNJCXRDA-UHFFFAOYSA-M
TotalMolweight	275.2
Molweight	275.2
MonoisotopicMass	275.041646
CLogP	-2.5351
CLogS	-3.166
H Acceptors	9
H Donors	2
TotalSurfaceArea	198.85
Relative PSA	0.52909
PolarSurfaceArea	139.44
Druglikeness	-1.8407
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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