Molecule

ID:73740

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃Br
Molecular Mass
225.12492
Exact Mass
224.02006242
Charge
0
InChI
InChI=1S/C11H13Br/c1-9(2)7-8-10-5-3-4-6-11(10)12/h3-6H,1,7-8H2,2H3
InChIKey
AYBPGVKOKLIVNY-UHFFFAOYSA-N
Canonic Smiles
CC(=C)CCc1ccccc1Br
Isomeric Smiles
Brc1c(cccc1)CCC(=C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.528499
LogD (pH = 7.4)
4.528499
Log P
4.528499
Molar Refractivity
56.8511
Polarizability
21.891764
Polar Surface Area
0.0
Rotatable Bonds
3
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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