6-[(E)-2-(3-chloro-4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C12H8N3O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(3-chloro-4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-(3-chloro-4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H8N3O5Cl
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc2)cc(Cl)c2O)NC1=O)=O
InChI	InChI=1S/C12H8ClN3O5/c13-7-5-6(2-4-9(7)17)1-3-8-10(16(20)21)11(18)15-12(19)14-8/h1-5,17H,(H2,14,15,18,19)
InChIK	ZUUNMDBGCNUXNB-UHFFFAOYSA-N
TotalMolweight	309.665
Molweight	309.665
MonoisotopicMass	309.015249
CLogP	0.5563
CLogS	-3.846
H Acceptors	8
H Donors	3
TotalSurfaceArea	213.04
Relative PSA	0.43428
PolarSurfaceArea	124.25
Druglikeness	-2.7721
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	2
AcidicOxygens	1
StereoCon

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