(5E)-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-1-(3-bromophenyl)-1,3-diazinane-2,4,6-trione

Formula:C17H9N2O4Br2I Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-1-(3-bromophenyl)-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-1-(3-bromophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C17H9N2O4Br2I
Smiles	Oc(c(Br)cc(/C=C(\C(NC(N1c2cc(Br)ccc2)=O)=O)/C1=O)c1)c1I
InChI	InChI=1S/C17H9Br2IN2O4/c18-9-2-1-3-10(7-9)22-16(25)11(15(24)21-17(22)26)4-8-5-12(19)14(23)13(20)6-8/h1-7,23H,(H,21,24,26)
InChIK	PNSZPAVXPNVVQK-UHFFFAOYSA-N
TotalMolweight	591.976
Molweight	591.976
MonoisotopicMass	589.797378
CLogP	3.6972
CLogS	-6.275
H Acceptors	6
H Donors	2
TotalSurfaceArea	289.13
Relative PSA	0.23253
PolarSurfaceArea	86.71
Druglikeness	3.3485
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
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	1
Amides	2
StereoCon

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