Molecule

ID:79140

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅Br
Molecular Mass
179.098
Exact Mass
178.03571248
Charge
0
InChI
InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey
LSXKDWGTSHCFPP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCBr
Isomeric Smiles
BrCCCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.679115
LogD (pH = 7.4)
3.679115
Log P
3.679115
Molar Refractivity
41.9724
Polarizability
16.272566
Polar Surface Area
0.0
Rotatable Bonds
5
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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