Molecule

ID:11834

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Br
Molecular Mass
213.11422
Exact Mass
212.02006242
Charge
0
InChI
InChI=1S/C10H13Br/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey
BVBHVVRVSMBCPW-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)Br)C
Isomeric Smiles
c1(ccc(cc1)CC(C)C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4315763
LogD (pH = 7.4)
4.4315763
Log P
4.4315763
Molar Refractivity
52.4726
Polarizability
20.30688
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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