Molecule

ID:78015

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅BrO₂
Molecular Mass
223.1075
Exact Mass
222.02554172
Charge
0
InChI
InChI=1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)
InChIKey
BKJFDZSBZWHRNH-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCCCC(=O)O
Isomeric Smiles
BrCCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.1679907
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4544171
LogD (pH = 7.4)
-0.2515367
Log P
2.803442
Molar Refractivity
48.2388
Polarizability
18.78811
Polar Surface Area
37.3
Rotatable Bonds
7
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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