Molecule

ID:111636

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₉BO₂
Molecular Mass
298.31206
Exact Mass
298.30431089
Charge
0
InChI
InChI=1S/C18H39BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h20-21H,2-18H2,1H3
InChIKey
HGDBMZFQJKWYNK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCB(O)O
Isomeric Smiles
CCCCCCCCCCCCCCCCCCB(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.7191
LogD (pH = 7.4)
6.7191
Log P
6.7191
Molar Refractivity
89.125496
Polarizability
37.144108
Polar Surface Area
40.46
Rotatable Bonds
17
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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