Molecule

ID:136112

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄Br₂
Molecular Mass
261.96467935
Exact Mass
259.9596438
Charge
0
InChI
InChI=1S/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2/i4+1,5+1,6+1,7+1
InChIKey
LVWSZGCVEZRFBT-SQLBHGNYSA-N
Canonic Smiles
Br[13CH2][13CH2]CCC[13CH2][13CH2]Br
Isomeric Smiles
C(C[13CH2][13CH2]Br)C[13CH2][13CH2]Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7825236
LogD (pH = 7.4)
3.7825236
Log P
3.7825236
Molar Refractivity
49.9356
Polarizability
19.227158
Polar Surface Area
0.0
Rotatable Bonds
6
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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