Molecule

ID:65586

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀BrNO₂
Molecular Mass
232.0745
Exact Mass
230.98949057
Charge
0
InChI
InChI=1S/C8H10BrNO2/c1-11-5-6-3-4-7(12-2)8(9)10-6/h3-4H,5H2,1-2H3
InChIKey
GBGXVHJSYOHSJE-UHFFFAOYSA-N
Canonic Smiles
COCc1ccc(c(n1)Br)OC
Isomeric Smiles
c1c(nc(c(c1)OC)Br)COC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5294243
LogD (pH = 7.4)
1.5294254
Log P
1.5294254
Molar Refractivity
49.8742
Polarizability
19.28337
Polar Surface Area
31.35
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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