(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C17H9N2O3Br2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H9N2O3Br2ClS
Smiles	Oc(c(/C=C(/C(NC(N1c2cc(Br)ccc2)=S)=O)\C1=O)cc(Cl)c1)c1Br
InChI	InChI=1S/C17H9Br2ClN2O3S/c18-9-2-1-3-11(6-9)22-16(25)12(15(24)21-17(22)26)5-8-4-10(20)7-13(19)14(8)23/h1-7,23H,(H,21,24,26)
InChIK	IQBCBPOXIHSKBC-UHFFFAOYSA-N
TotalMolweight	516.596
Molweight	516.596
MonoisotopicMass	513.838912
CLogP	4.2266
CLogS	-6.079
H Acceptors	5
H Donors	2
TotalSurfaceArea	293.23
Relative PSA	0.28029
PolarSurfaceArea	101.73
Druglikeness	1.8824
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	2
StereoCon

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1 - (5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

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