Molecule

ID:32676

General Information
Structure
MolImage
Molecular Formula
C₇H₈BClO₂
Molecular Mass
170.40122
Exact Mass
170.03058758
Charge
0
InChI
InChI=1S/C7H8BClO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3
InChIKey
UKYCKUPXBPLXBA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Cl)B(O)O
Isomeric Smiles
c1(c(cc(cc1)C)Cl)B(O)O
Calculated Properties
JChem
Acid pKa
8.508823
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.624577
LogD (pH = 7.4)
2.592616
Log P
2.625
Molar Refractivity
40.4495
Polarizability
17.18291
Polar Surface Area
40.46
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
暂无数据
点击上传数据
References
Bioactivity
Navigation