(1Z,5Z)-1-(4-bromophenyl)-1,6-dihydroxy-6-phenylhexa-1,5-diene-3,4-dione

Formula:C18H13O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:low (1Z,5Z)-1-(4-bromophenyl)-1,6-dihydroxy-6-phenylhexa-1,5-diene-3,4-dione is a drug-like molecule.

MolName	(1Z,5Z)-1-(4-bromophenyl)-1,6-dihydroxy-6-phenylhexa-1,5-diene-3,4-dione
MolecularFormula	C18H13O4Br
Smiles	O/C(/c1ccccc1)=C\C(C(/C=C(/c(cc1)ccc1Br)\O)=O)=O
InChI	InChI=1S/C18H13BrO4/c19-14-8-6-13(7-9-14)16(21)11-18(23)17(22)10-15(20)12-4-2-1-3-5-12/h1-11,20-21H
InChIK	ZBVPSPXCMAXXQE-UHFFFAOYSA-N
TotalMolweight	373.201
Molweight	373.201
MonoisotopicMass	371.999721
CLogP	2.641
CLogS	-3.808
H Acceptors	4
H Donors	2
TotalSurfaceArea	249.27
Relative PSA	0.20973
PolarSurfaceArea	74.6
Druglikeness	-4.8867
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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1 - (1Z,5Z)-1-(4-bromophenyl)-1,6-dihydroxy-6-phenylhexa-1,5-diene-3,4-dione | 2 - (1Z,5Z)-1-(4-bromophenyl)-1,6-dihydroxy-6-phenylhexa-1,5-diene-3,4-dione

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