Molecule

ID:10787

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉BO₂
Molecular Mass
170.05696
Exact Mass
170.14781025
Charge
0
InChI
InChI=1S/C9H19BO2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9,11-12H,2-7H2,1H3/b9-8+
InChIKey
QQYXRMSFSNQEBV-CMDGGOBGSA-N
Canonic Smiles
CCCCCCC/C=C/B(O)O
Isomeric Smiles
C(CCCC/C=C/B(O)O)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.2877
LogD (pH = 7.4)
3.2877
Log P
3.2877
Molar Refractivity
47.891
Polarizability
20.29633
Polar Surface Area
40.46
Rotatable Bonds
7
Lipinski's Rule of Five
true
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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