Molecule

ID:10782

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅BO₂
Molecular Mass
142.0038
Exact Mass
142.11651012
Charge
0
InChI
InChI=1S/C7H15BO2/c1-2-3-4-5-6-7-8(9)10/h6-7,9-10H,2-5H2,1H3/b7-6+
InChIKey
LDTJUGVTOZBIBN-VOTSOKGWSA-N
Canonic Smiles
CCCCC/C=C/B(O)O
Isomeric Smiles
CCCCC/C=C/B(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.495082
LogD (pH = 7.4)
2.4936614
Log P
2.4951
Molar Refractivity
38.689
Polarizability
16.607079
Polar Surface Area
40.46
Rotatable Bonds
5
Lipinski's Rule of Five
true
Acid pKa
9.876737
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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