Molecule

ID:64748

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉BO₂
Molecular Mass
158.04626
Exact Mass
158.14781025
Charge
0
InChI
InChI=1S/C8H19BO2/c1-2-3-4-5-6-7-8-9(10)11/h10-11H,2-8H2,1H3
InChIKey
GKFRVXOKPXCXAK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCB(O)O
Isomeric Smiles
B(O)(O)CCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.755905
LogD (pH = 7.4)
2.7408698
Log P
2.7561
Molar Refractivity
43.1155
Polarizability
18.689863
Polar Surface Area
40.46
Rotatable Bonds
7
Lipinski's Rule of Five
true
Acid pKa
8.84498
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
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References
Bioactivity
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