Molecule

ID:130026

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅B
Molecular Mass
242.1227
Exact Mass
242.12668088
Charge
0
InChI
InChI=1S/C18H15B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey
MXSVLWZRHLXFKH-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)B(c1ccccc1)c1ccccc1
Isomeric Smiles
c1c(B(c2ccccc2)c2ccccc2)cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.9066
LogD (pH = 7.4)
5.9066
Log P
5.9066
Molar Refractivity
76.4229
Polarizability
31.729559
Polar Surface Area
0.0
Rotatable Bonds
3
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