Molecule

ID:32883

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇BO₂
Molecular Mass
192.06248
Exact Mass
192.13216018
Charge
0
InChI
InChI=1S/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3
InChIKey
UZRMPSOGFATLJE-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)B(O)O
Isomeric Smiles
c1c(ccc(c1)B(O)O)CCCCC
Calculated Properties
JChem
Acid pKa
8.848772
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.6920066
LogD (pH = 7.4)
3.677097
Log P
3.6922
Molar Refractivity
54.0487
Polarizability
22.67698
Polar Surface Area
40.46
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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