Molecule

ID:88545

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Br
Molecular Mass
213.11422
Exact Mass
212.02006242
Charge
0
InChI
InChI=1S/C10H13Br/c1-3-8-5-9(4-2)7-10(11)6-8/h5-7H,3-4H2,1-2H3
InChIKey
GJZCXWCBZPSQEV-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(CC)cc(c1)Br
Isomeric Smiles
Brc1cc(cc(c1)CC)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6579785
LogD (pH = 7.4)
4.6579785
Log P
4.6579785
Molar Refractivity
52.9652
Polarizability
20.232903
Polar Surface Area
0.0
Rotatable Bonds
2
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
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References
Bioactivity
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