5-[(Z)-1-chloro-3-oxo-3-phenylprop-1-enyl]-1H-pyrimidine-2,4-dione

Formula:C13H9N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(Z)-1-chloro-3-oxo-3-phenylprop-1-enyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-[(Z)-1-chloro-3-oxo-3-phenylprop-1-enyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C13H9N2O3Cl
Smiles	O=C(/C=C(/C(C(N1)=O)=CNC1=O)\Cl)c1ccccc1
InChI	InChI=1S/C13H9ClN2O3/c14-10(9-7-15-13(19)16-12(9)18)6-11(17)8-4-2-1-3-5-8/h1-7H,(H2,15,16,18,19)
InChIK	CIGSDLUEGYCADR-UHFFFAOYSA-N
TotalMolweight	276.678
Molweight	276.678
MonoisotopicMass	276.03017
CLogP	1.0708
CLogS	-3.695
H Acceptors	5
H Donors	2
TotalSurfaceArea	200.77
Relative PSA	0.30901
PolarSurfaceArea	75.27
Druglikeness	3.9521
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	allyl/benzyl chloride; 3-halo-enone
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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