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

Formula:C18H13N2O4Br Mutagenic:low Tumorigenic:none Reproductive Effective:high (5E)-1-benzyl-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-benzyl-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C18H13N2O4Br
Smiles	Oc(ccc(/C=C(\C(NC(N1Cc2ccccc2)=O)=O)/C1=O)c1)c1Br
InChI	InChI=1S/C18H13BrN2O4/c19-14-9-12(6-7-15(14)22)8-13-16(23)20-18(25)21(17(13)24)10-11-4-2-1-3-5-11/h1-9,22H,10H2,(H,20,23,25)
InChIK	XPYMSDSEDJGZCH-UHFFFAOYSA-N
TotalMolweight	401.215
Molweight	401.215
MonoisotopicMass	400.005869
CLogP	2.4578
CLogS	-3.903
H Acceptors	6
H Donors	2
TotalSurfaceArea	257.98
Relative PSA	0.2606
PolarSurfaceArea	86.71
Druglikeness	3.9525
Mutagenic	low
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	2
StereoCon

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