Molecule

ID:101463

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁BrO
Molecular Mass
263.12984
Exact Mass
261.99932697
Charge
0
InChI
InChI=1S/C13H11BrO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
InChIKey
KZVLWVAXLYUCLW-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)COc1ccccc1
Isomeric Smiles
O(Cc1ccc(Br)cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3088
LogD (pH = 7.4)
4.3088
Log P
4.3088
Molar Refractivity
64.7566
Polarizability
25.123013
Polar Surface Area
9.23
Rotatable Bonds
3
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
暂无数据
点击上传数据
References
Bioactivity
Navigation