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

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

MolName	(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C17H11N2O5Br
Smiles	Oc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)cc(Br)c2O)=O)C1=O
InChI	InChI=1S/C17H11BrN2O5/c18-13-8-9(1-6-14(13)22)7-12-15(23)19-17(25)20(16(12)24)10-2-4-11(21)5-3-10/h1-8,21-22H,(H,19,23,25)
InChIK	FOARFFYUNLVJIT-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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