Molecule

ID:89480

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrO₂
Molecular Mass
243.09714
Exact Mass
241.99424159
Charge
0
InChI
InChI=1S/C10H11BrO2/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h2-5H,6-7H2,1H3
InChIKey
APXOMRFLJBRHNX-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1)CC(=O)OC
Isomeric Smiles
BrCc1ccc(cc1)CC(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5296254
LogD (pH = 7.4)
2.5296254
Log P
2.5296254
Molar Refractivity
54.9851
Polarizability
21.174076
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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