Molecule

ID:134682

General Information
Structure
MolImage
Molecular Formula
C₅H₉BrO₂
Molecular Mass
181.02776
Exact Mass
179.97859153
Charge
0
InChI
InChI=1S/C5H9BrO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
InChIKey
WNXNUPJZWYOKMW-UHFFFAOYSA-N
Canonic Smiles
BrCCCCC(=O)O
Isomeric Smiles
C(CCCBr)C(=O)O
Calculated Properties
JChem
Acid pKa
3.737712
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.29263476
LogD (pH = 7.4)
-1.8201485
Log P
1.469736
Molar Refractivity
34.4358
Polarizability
13.409589
Polar Surface Area
37.3
Rotatable Bonds
4
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
Navigation
CAS 284487-63-4|5-bromo(2,2,5,5-<sup>2</sup>H<sub>4</sub>)pentanoic acid|5-溴戊酸-2,2,5,5-d4|5-Bromopentanoic acid-2,2,5,5-d4|5-bromo(2,2,5,5-<sup>2</sup>H<sub>4</sub>)pentanoic acid | Molfinder