5-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C13H8N2O2Cl2S Mutagenic:high Tumorigenic:low Reproductive Effective:high 5-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	5-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C13H8N2O2Cl2S
Smiles	O=C(C(C(N1)=O)=C/C=C(/c(cc2)ccc2Cl)\Cl)NC1=S
InChI	InChI=1S/C13H8Cl2N2O2S/c14-8-3-1-7(2-4-8)10(15)6-5-9-11(18)16-13(20)17-12(9)19/h1-6H,(H2,16,17,18,19,20)
InChIK	RNGOPYPJSXTVSL-UHFFFAOYSA-N
TotalMolweight	327.191
Molweight	327.191
MonoisotopicMass	325.968352
CLogP	2.3091
CLogS	-2.685
H Acceptors	4
H Donors	2
TotalSurfaceArea	231.15
Relative PSA	0.33312
PolarSurfaceArea	90.29
Druglikeness	2.85
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; allyl/benzyl chloride; thio-amide/urea
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	5
Amides	2
StereoCon

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