Molecule

ID:70930

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆BNO₄
Molecular Mass
343.22504
Exact Mass
343.19548872
Charge
0
InChI
InChI=1S/C19H26BNO4/c1-18(2)19(3,4)25-20(24-18)16-10-12-21(13-11-16)17(22)23-14-15-8-6-5-7-9-15/h5-10H,11-14H2,1-4H3
InChIKey
QDSFHRPYZPQWEJ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Isomeric Smiles
C1C=C(CCN1C(=O)OCc1ccccc1)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5717
LogD (pH = 7.4)
3.5717
Log P
3.5717
Molar Refractivity
93.1666
Polarizability
37.834167
Polar Surface Area
48.0
Rotatable Bonds
4
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