Molecule

ID:87533

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉BrO
Molecular Mass
223.15056
Exact Mass
222.06192723
Charge
0
InChI
InChI=1S/C9H19BrO/c10-8-6-4-2-1-3-5-7-9-11/h11H,1-9H2
InChIKey
USJDOLXCPFASNV-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCCBr
Isomeric Smiles
OCCCCCCCCCBr
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1315737
LogD (pH = 7.4)
3.1315737
Log P
3.1315737
Molar Refractivity
53.1031
Polarizability
20.597078
Polar Surface Area
20.23
Rotatable Bonds
8
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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