Molecule
ID:88729
General Information
Molecular Formula
C₂₀H₁₅BO₂
Molecular Mass
298.1429
Exact Mass
298.11651012
Charge
0
InChI
InChI=1S/C20H15BO2/c22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13,22-23H
InChIKey
RVPCPPWNSMAZKR-UHFFFAOYSA-N
Canonic Smiles
OB(c1c2ccccc2c(c2c1cccc2)c1ccccc1)O
Isomeric Smiles
B(c1c2ccccc2c(c2ccccc12)c1ccccc1)(O)O
Calculated Properties
JChem
Acid pKa
8.484661
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.3281527
LogD (pH = 7.4)
5.294434
Log P
5.3286
Molar Refractivity
88.6401
Polarizability
39.896896
Polar Surface Area
40.46
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...