(5E)-1-(3-chlorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione

Formula:C19H13N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(3-chlorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(3-chlorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C19H13N2O3Cl
Smiles	O=C(/C(/C(N1c2cccc(Cl)c2)=O)=C\C=C\c2ccccc2)NC1=O
InChI	InChI=1S/C19H13ClN2O3/c20-14-9-5-10-15(12-14)22-18(24)16(17(23)21-19(22)25)11-4-8-13-6-2-1-3-7-13/h1-12H,(H,21,23,25)
InChIK	YRHCBLOEOXRQJT-UHFFFAOYSA-N
TotalMolweight	352.776
Molweight	352.776
MonoisotopicMass	352.06147
CLogP	3.418
CLogS	-4.935
H Acceptors	5
H Donors	1
TotalSurfaceArea	261.16
Relative PSA	0.20727
PolarSurfaceArea	66.48
Druglikeness	4.9189
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
Amides	2
StereoCon

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