Molecule

ID:51785

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃Br
Molecular Mass
189.09282
Exact Mass
188.02006242
Charge
0
InChI
InChI=1S/C8H13Br/c1-7-2-4-8(6-9)5-3-7/h8H,1-6H2
InChIKey
HNICCJHRSDHCEC-UHFFFAOYSA-N
Canonic Smiles
BrCC1CCC(=C)CC1
Isomeric Smiles
C1(=C)CCC(CC1)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0751667
LogD (pH = 7.4)
3.0751667
Log P
3.0751667
Molar Refractivity
44.3669
Polarizability
17.136799
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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