Molecule

ID:109365

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₇Br
Molecular Mass
263.25748
Exact Mass
262.12961286
Charge
0
InChI
InChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3
InChIKey
BFDNZQUBFCYTIC-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCBr
Isomeric Smiles
CCCCCCCCCCCCCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.346527
LogD (pH = 7.4)
6.346527
Log P
6.346527
Molar Refractivity
69.5784
Polarizability
27.241514
Polar Surface Area
0.0
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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