Molecule

ID:110508

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉BrO₂
Molecular Mass
251.16066
Exact Mass
250.05684185
Charge
0
InChI
InChI=1S/C10H19BrO2/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKey
KNLOTZNPRIFUAR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(C(=O)O)Br
Isomeric Smiles
CCCCCCCCC(Br)C(=O)O
Calculated Properties
JChem
Acid pKa
3.59545
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3584454
LogD (pH = 7.4)
0.9135701
Log P
4.258192
Molar Refractivity
57.0043
Polarizability
22.411158
Polar Surface Area
37.3
Rotatable Bonds
8
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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