(1E,4E)-1,5-bis(5-bromo-2-hydroxyphenyl)penta-1,4-dien-3-one

Formula:C17H12O3Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E,4E)-1,5-bis(5-bromo-2-hydroxyphenyl)penta-1,4-dien-3-one is a drug-like molecule.

MolName	(1E,4E)-1,5-bis(5-bromo-2-hydroxyphenyl)penta-1,4-dien-3-one
MolecularFormula	C17H12O3Br2
Smiles	Oc(cc1)c(/C=C/C(/C=C/c(cc(cc2)Br)c2O)=O)cc1Br
InChI	InChI=1S/C17H12Br2O3/c18-13-3-7-16(21)11(9-13)1-5-15(20)6-2-12-10-14(19)4-8-17(12)22/h1-10,21-22H
InChIK	GHQJYKKGXCSWOF-UHFFFAOYSA-N
TotalMolweight	424.087
Molweight	424.087
MonoisotopicMass	421.915317
CLogP	4.6836
CLogS	-5.062
H Acceptors	3
H Donors	2
TotalSurfaceArea	253.73
Relative PSA	0.15465
PolarSurfaceArea	57.53
Druglikeness	-1.1062
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	10
StereoCon

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