Molecule

ID:64550

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrO
Molecular Mass
227.09774
Exact Mass
225.99932697
Charge
0
InChI
InChI=1S/C10H11BrO/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9H,5-7H2
InChIKey
FQPRCEFOQRTXQL-UHFFFAOYSA-N
Canonic Smiles
BrCC1CCc2c(O1)cccc2
Isomeric Smiles
O1c2c(CCC1CBr)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2097838
LogD (pH = 7.4)
3.2097838
Log P
3.2097838
Molar Refractivity
52.4288
Polarizability
20.23517
Polar Surface Area
9.23
Rotatable Bonds
1
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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