Molecule

ID:10658

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉BrO₂
Molecular Mass
251.16066
Exact Mass
250.05684185
Charge
0
InChI
InChI=1S/C10H19BrO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13)
InChIKey
PGVRSPIEZYGOAD-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCCCCCC(=O)O
Isomeric Smiles
BrCCCCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.036774
LogD (pH = 7.4)
1.2776388
Log P
3.6925793
Molar Refractivity
57.4408
Polarizability
22.40425
Polar Surface Area
37.3
Rotatable Bonds
9
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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