Molecule

ID:10771

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrO₂
Molecular Mass
201.0174
Exact Mass
199.9472914
Charge
0
InChI
InChI=1S/C7H5BrO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H
InChIKey
SCRQAWQJSSKCFN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(O)ccc1Br
Isomeric Smiles
c1(ccc(c(c1)C=O)Br)O
Calculated Properties
JChem
Acid pKa
8.520077
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1505237
LogD (pH = 7.4)
2.119399
Log P
2.1509354
Molar Refractivity
42.2457
Polarizability
15.753445
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation