Molecule

ID:112588

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇BrO
Molecular Mass
235.07668
Exact Mass
233.96802684
Charge
0
InChI
InChI=1S/C11H7BrO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-7H
InChIKey
CYGUXEZVBLMVRV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1Br)cccc2
Isomeric Smiles
Brc1c2ccccc2ccc1C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4439776
LogD (pH = 7.4)
3.4439776
Log P
3.4439776
Molar Refractivity
56.715
Polarizability
22.400354
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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