(5Z)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-1-(2,3-dichlorophenyl)-1,3-diazinane-2,4,6-trione

Formula:C21H10N2O4BrCl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (5Z)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-1-(2,3-dichlorophenyl)-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5Z)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-1-(2,3-dichlorophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C21H10N2O4BrCl3
Smiles	O=C(/C(/C(N1c(cccc2Cl)c2Cl)=O)=C/c2ccc(-c(cc3)cc(Cl)c3Br)o2)NC1=O
InChI	InChI=1S/C21H10BrCl3N2O4/c22-13-6-4-10(8-15(13)24)17-7-5-11(31-17)9-12-19(28)26-21(30)27(20(12)29)16-3-1-2-14(23)18(16)25/h1-9H,(H,26,28,30)
InChIK	UIHVMZOQCNJPLI-UHFFFAOYSA-N
TotalMolweight	540.583
Molweight	540.583
MonoisotopicMass	537.88895
CLogP	5.6375
CLogS	-8.389
H Acceptors	6
H Donors	1
TotalSurfaceArea	333.58
Relative PSA	0.20457
PolarSurfaceArea	79.62
Druglikeness	3.816
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Amides	2
StereoCon

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1 - (5Z)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-1-(2,3-dichlorophenyl)-1,3-diazinane-2,4,6-trione | 2 - (5Z)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-1-(2,3-dichlorophenyl)-1,3-diazinane-2,4,6-trione

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