Molecule

ID:101197

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆BNO₂
Molecular Mass
287.20484
Exact Mass
287.20565948
Charge
0
InChI
InChI=1S/C17H26BNO2/c1-16(2)17(3,4)21-18(20-16)14-8-10-15(11-9-14)19-12-6-5-7-13-19/h8-11H,5-7,12-13H2,1-4H3
InChIKey
OTOKWHGMHAAFRM-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)N1CCCCC1
Isomeric Smiles
B1(OC(C(O1)(C)C)(C)C)c1ccc(N2CCCCC2)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.878628
LogD (pH = 7.4)
4.8865976
Log P
4.8867
Molar Refractivity
82.2837
Polarizability
33.6301
Polar Surface Area
21.7
Rotatable Bonds
2
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