(5Z)-1-(4-bromophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C17H10N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-1-(4-bromophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-1-(4-bromophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C17H10N3O6Br
Smiles	[O-][N+](c(cc(/C=C(/C(NC(N1c(cc2)ccc2Br)=O)=O)\C1=O)cc1)c1O)=O
InChI	InChI=1S/C17H10BrN3O6/c18-10-2-4-11(5-3-10)20-16(24)12(15(23)19-17(20)25)7-9-1-6-14(22)13(8-9)21(26)27/h1-8,22H,(H,19,23,25)
InChIK	QTYWZYNKKDRRLE-UHFFFAOYSA-N
TotalMolweight	432.185
Molweight	432.185
MonoisotopicMass	430.975298
CLogP	1.6133
CLogS	-4.885
H Acceptors	9
H Donors	2
TotalSurfaceArea	267.89
Relative PSA	0.36452
PolarSurfaceArea	132.53
Druglikeness	-2.1137
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - (5Z)-1-(4-bromophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5Z)-1-(4-bromophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione

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