(1Z,4Z)-2,4-dibromo-1,5-diphenylpenta-1,4-dien-3-one

Formula:C17H12OBr2 Mutagenic:high Tumorigenic:low Reproductive Effective:high (1Z,4Z)-2,4-dibromo-1,5-diphenylpenta-1,4-dien-3-one is not a drug-like molecule.

MolName	(1Z,4Z)-2,4-dibromo-1,5-diphenylpenta-1,4-dien-3-one
MolecularFormula	C17H12OBr2
Smiles	O=C(/C(/Br)=C/c1ccccc1)/C(/Br)=C/c1ccccc1
InChI	InChI=1S/C17H12Br2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-12H
InChIK	SJEVIRRLNSMNAS-UHFFFAOYSA-N
TotalMolweight	392.089
Molweight	392.089
MonoisotopicMass	389.925487
CLogP	5.1098
CLogS	-5.652
H Acceptors	1
TotalSurfaceArea	237.45
Relative PSA	0.054917
PolarSurfaceArea	17.07
Druglikeness	-8.1871
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	2-halo-enone
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	11
StereoCon

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