6-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C12H9N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H9N3O5
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc2)ccc2O)NC1=O)=O
InChI	InChI=1S/C12H9N3O5/c16-8-4-1-7(2-5-8)3-6-9-10(15(19)20)11(17)14-12(18)13-9/h1-6,16H,(H2,13,14,17,18)
InChIK	IXRBZNCTCYNHKP-UHFFFAOYSA-N
TotalMolweight	275.219
Molweight	275.219
MonoisotopicMass	275.054222
CLogP	-0.0497
CLogS	-3.11
H Acceptors	8
H Donors	3
TotalSurfaceArea	197.62
Relative PSA	0.46817
PolarSurfaceArea	124.25
Druglikeness	-2.8502
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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