Molecule

ID:101401

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂BNO₂
Molecular Mass
259.15168
Exact Mass
259.17435935
Charge
0
InChI
InChI=1S/C15H22BNO2/c1-14(2)15(3,4)19-16(18-14)12-6-7-13-11(10-12)8-9-17(13)5/h6-7,10H,8-9H2,1-5H3
InChIKey
CZYIGZLFKRAXMV-UHFFFAOYSA-N
Canonic Smiles
CN1CCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
B1(OC(C(O1)(C)C)(C)C)c1cc2c(N(CC2)C)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.146107
LogD (pH = 7.4)
4.146495
Log P
4.1465
Molar Refractivity
73.4513
Polarizability
29.860548
Polar Surface Area
21.7
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