Molecule

ID:108285

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇Br
Molecular Mass
193.12458
Exact Mass
192.05136254
Charge
0
InChI
InChI=1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKey
NZWIYPLSXWYKLH-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CBr)CC
Isomeric Smiles
CCCCC(CC)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.044088
LogD (pH = 7.4)
4.044088
Log P
4.044088
Molar Refractivity
46.444
Polarizability
18.093313
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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