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

Formula:C16H11N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-hydroxy-5-nitro-2-[(E)-2-(5-phenylfuran-2-yl)ethenyl]-1H-pyrimidin-6-one is a drug-like molecule.

MolName	4-hydroxy-5-nitro-2-[(E)-2-(5-phenylfuran-2-yl)ethenyl]-1H-pyrimidin-6-one
MolecularFormula	C16H11N3O5
Smiles	[O-][N+](C(C(NC(/C=C/c1ccc(-c2ccccc2)o1)=N1)=O)=C1O)=O
InChI	InChI=1S/C16H11N3O5/c20-15-14(19(22)23)16(21)18-13(17-15)9-7-11-6-8-12(24-11)10-4-2-1-3-5-10/h1-9H,(H2,17,18,20,21)
InChIK	CRMXRNNQQQETCQ-UHFFFAOYSA-N
TotalMolweight	325.279
Molweight	325.279
MonoisotopicMass	325.069872
CLogP	0.8584
CLogS	-5.478
H Acceptors	8
H Donors	2
TotalSurfaceArea	240.83
Relative PSA	0.38882
PolarSurfaceArea	120.65
Druglikeness	-1.3365
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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