Molecule

ID:10666

General Information
Structure
MolImage
Molecular Formula
C₅H₉BrO₂
Molecular Mass
181.02776
Exact Mass
179.97859153
Charge
0
InChI
InChI=1S/C5H9BrO2/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChIKey
WMFATTFQNRPXBQ-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(=O)O)Br
Isomeric Smiles
C(=O)(C(CCC)Br)O
Calculated Properties
JChem
Acid pKa
3.2796142
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.16683453
LogD (pH = 7.4)
-1.3949904
Log P
2.0353487
Molar Refractivity
33.9993
Polarizability
13.422295
Polar Surface Area
37.3
Rotatable Bonds
3
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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