Molecule

ID:68941

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅Br
Molecular Mass
309.2844
Exact Mass
308.1139628
Charge
0
InChI
InChI=1S/C17H25Br/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15H,2-9H2,1H3/t14-,15-
InChIKey
QUWHOIKFJBTGHZ-SHTZXODSSA-N
Canonic Smiles
CCCCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)Br
Isomeric Smiles
c1(ccc(cc1)[C@H]1CC[C@@H](CC1)CCCCC)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.9222813
LogD (pH = 7.4)
6.9222813
Log P
6.9222813
Molar Refractivity
82.825
Polarizability
32.429924
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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