Molecule

ID:136651

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₆BNO₂
Molecular Mass
371.27974
Exact Mass
371.20565948
Charge
0
InChI
InChI=1S/C24H26BNO2/c1-23(2)24(3,4)28-25(27-23)19-15-17-22(18-16-19)26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18H,1-4H3
InChIKey
VKSWIFGDKIEVFZ-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Isomeric Smiles
B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.0802
LogD (pH = 7.4)
7.0802
Log P
7.0802
Molar Refractivity
108.8736
Polarizability
44.38182
Polar Surface Area
21.7
Rotatable Bonds
4
Lipinski's Rule of Five
false
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
References
Bioactivity
Navigation