2-[(E)-2-(furan-2-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one

Formula:C10H7N3O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(furan-2-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one is a drug-like molecule.

MolName	2-[(E)-2-(furan-2-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
MolecularFormula	C10H7N3O5
Smiles	[O-][N+](C(C(NC(/C=C/c1ccco1)=N1)=O)=C1O)=O
InChI	InChI=1S/C10H7N3O5/c14-9-8(13(16)17)10(15)12-7(11-9)4-3-6-2-1-5-18-6/h1-5H,(H2,11,12,14,15)
InChIK	WRDVZIDGMINMIY-UHFFFAOYSA-N
TotalMolweight	249.182
Molweight	249.182
MonoisotopicMass	249.038572
CLogP	-0.8918
CLogS	-3.7
H Acceptors	8
H Donors	2
TotalSurfaceArea	181.07
Relative PSA	0.51715
PolarSurfaceArea	120.65
Druglikeness	-2.4938
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	2
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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