Molecule

ID:69314

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₉BN₂O₂
Molecular Mass
316.24606
Exact Mass
316.23220858
Charge
0
InChI
InChI=1S/C18H29BN2O2/c1-6-20-11-13-21(14-12-20)16-9-7-15(8-10-16)19-22-17(2,3)18(4,5)23-19/h7-10H,6,11-14H2,1-5H3
InChIKey
OSJYTVPEVGWXNG-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
N1(CCN(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7856107
LogD (pH = 7.4)
3.575992
Log P
4.3086
Molar Refractivity
90.9404
Polarizability
36.998623
Polar Surface Area
24.94
Rotatable Bonds
3
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