(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione

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

MolName	(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C17H10N3O6Br
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)cc(Br)c2O)=O)C1=O)=O
InChI	InChI=1S/C17H10BrN3O6/c18-13-8-9(1-6-14(13)22)7-12-15(23)19-17(25)20(16(12)24)10-2-4-11(5-3-10)21(26)27/h1-8,22H,(H,19,23,25)
InChIK	CEQNDDDQWIVFGV-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	0.55556
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

Click to Load Molecule:

1 - (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione | 2 - (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione

Request More Details | (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments