Molecule

ID:105714

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁BrO₂
Molecular Mass
265.18724
Exact Mass
264.07249191
Charge
0
InChI
InChI=1S/C11H21BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)
InChIKey
IUDGNRWYNOEIKF-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCCCCCCC(=O)O
Isomeric Smiles
OC(=O)CCCCCCCCCCBr
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4813426
LogD (pH = 7.4)
1.7222074
Log P
4.137148
Molar Refractivity
62.0418
Polarizability
24.219095
Polar Surface Area
37.3
Rotatable Bonds
10
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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