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

Formula:C11H7N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:high 5-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	5-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C11H7N2O5Br
Smiles	Oc1cc(C=C(C(NC(N2)=O)=O)C2=O)cc(Br)c1O
InChI	InChI=1S/C11H7BrN2O5/c12-6-2-4(3-7(15)8(6)16)1-5-9(17)13-11(19)14-10(5)18/h1-3,15-16H,(H2,13,14,17,18,19)
InChIK	VKXIODDKYKYLRY-UHFFFAOYSA-N
TotalMolweight	327.09
Molweight	327.09
MonoisotopicMass	325.953834
CLogP	0.4411
CLogS	-2.646
H Acceptors	7
H Donors	4
TotalSurfaceArea	191.97
Relative PSA	0.45966
PolarSurfaceArea	115.73
Druglikeness	2.0534
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	3
Amides	2
StereoCon

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