(E)-2,3-dibromo-1,4-diphenylbut-2-ene-1,4-dione

Formula:C16H10O2Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2,3-dibromo-1,4-diphenylbut-2-ene-1,4-dione is a drug-like molecule.

MolName	(E)-2,3-dibromo-1,4-diphenylbut-2-ene-1,4-dione
MolecularFormula	C16H10O2Br2
Smiles	O=C(/C(/Br)=C(/C(c1ccccc1)=O)\Br)c1ccccc1
InChI	InChI=1S/C16H10Br2O2/c17-13(15(19)11-7-3-1-4-8-11)14(18)16(20)12-9-5-2-6-10-12/h1-10H
InChIK	WYBKSZUTKGRPNK-UHFFFAOYSA-N
TotalMolweight	394.061
Molweight	394.061
MonoisotopicMass	391.904752
CLogP	3.9262
CLogS	-5.594
H Acceptors	2
TotalSurfaceArea	228.7
Relative PSA	0.11404
PolarSurfaceArea	34.14
Druglikeness	-8.5263
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	12
StereoCon

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