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

Formula:C17H11N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-1-(3-bromophenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-1-(3-bromophenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C17H11N2O4Br
Smiles	Oc1ccc(/C=C(/C(NC(N2c3cccc(Br)c3)=O)=O)\C2=O)cc1
InChI	InChI=1S/C17H11BrN2O4/c18-11-2-1-3-12(9-11)20-16(23)14(15(22)19-17(20)24)8-10-4-6-13(21)7-5-10/h1-9,21H,(H,19,22,24)
InChIK	VCDHOSDZMRLABJ-UHFFFAOYSA-N
TotalMolweight	387.188
Molweight	387.188
MonoisotopicMass	385.990219
CLogP	2.5349
CLogS	-4.425
H Acceptors	6
H Donors	2
TotalSurfaceArea	244.22
Relative PSA	0.27528
PolarSurfaceArea	86.71
Druglikeness	2.9199
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	2
StereoCon

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