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

Formula:C19H12N3O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-1-(4-chlorophenyl)-5-[(E)-3-(3-nitrophenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-1-(4-chlorophenyl)-5-[(E)-3-(3-nitrophenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C19H12N3O5Cl
Smiles	[O-][N+](c1cccc(/C=C/C=C(/C(NC(N2c(cc3)ccc3Cl)=O)=O)\C2=O)c1)=O
InChI	InChI=1S/C19H12ClN3O5/c20-13-7-9-14(10-8-13)22-18(25)16(17(24)21-19(22)26)6-2-4-12-3-1-5-15(11-12)23(27)28/h1-11H,(H,21,24,26)
InChIK	RUYMGEFYPNPAAO-UHFFFAOYSA-N
TotalMolweight	397.773
Molweight	397.773
MonoisotopicMass	397.046549
CLogP	2.4964
CLogS	-5.395
H Acceptors	8
H Donors	1
TotalSurfaceArea	284.83
Relative PSA	0.29684
PolarSurfaceArea	112.3
Druglikeness	-0.098303
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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