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

Formula:C17H11N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(4-bromophenyl)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(4-bromophenyl)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C17H11N2O5Br
Smiles	Oc(ccc(/C=C(\C(NC(N1c(cc2)ccc2Br)=O)=O)/C1=O)c1)c1O
InChI	InChI=1S/C17H11BrN2O5/c18-10-2-4-11(5-3-10)20-16(24)12(15(23)19-17(20)25)7-9-1-6-13(21)14(22)8-9/h1-8,21-22H,(H,19,23,25)
InChIK	CCCMYHPRPLNOQD-UHFFFAOYSA-N
TotalMolweight	403.187
Molweight	403.187
MonoisotopicMass	401.985134
CLogP	2.1892
CLogS	-4.129
H Acceptors	7
H Donors	3
TotalSurfaceArea	250.57
Relative PSA	0.32059
PolarSurfaceArea	106.94
Druglikeness	2.9199
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	2
StereoCon

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