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

Formula:C12H7N3O5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(3,5-dichloro-4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-(3,5-dichloro-4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H7N3O5Cl2
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc2Cl)cc(Cl)c2O)NC1=O)=O
InChI	InChI=1S/C12H7Cl2N3O5/c13-6-3-5(4-7(14)10(6)18)1-2-8-9(17(21)22)11(19)16-12(20)15-8/h1-4,18H,(H2,15,16,19,20)
InChIK	ZISUEZROSWGJMD-UHFFFAOYSA-N
TotalMolweight	344.11
Molweight	344.11
MonoisotopicMass	342.976276
CLogP	1.1623
CLogS	-4.582
H Acceptors	8
H Donors	3
TotalSurfaceArea	228.46
Relative PSA	0.40497
PolarSurfaceArea	124.25
Druglikeness	-2.7721
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	22
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	3
Amides	2
AcidicOxygens	1
StereoCon

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