Molecule

ID:78259

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇BO₃
Molecular Mass
244.09398
Exact Mass
244.1270748
Charge
0
InChI
InChI=1S/C14H17BO3/c1-13(2)14(3,4)18-15(17-13)11-5-6-12-10(9-11)7-8-16-12/h5-9H,1-4H3
InChIKey
ZQCCCOMKYKVFFN-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc2c(c1)cco2
Isomeric Smiles
O1B(c2ccc3c(c2)cco3)OC(C1(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1792
LogD (pH = 7.4)
4.1792
Log P
4.1792
Molar Refractivity
64.5542
Polarizability
28.396112
Polar Surface Area
31.6
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