Molecule

ID:90542

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrO
Molecular Mass
227.09774
Exact Mass
225.99932697
Charge
0
InChI
InChI=1S/C10H11BrO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
QMOSZSHTSOWPRX-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Br)(C)C)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)C(C)(C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2552626
LogD (pH = 7.4)
3.2552626
Log P
3.2552626
Molar Refractivity
53.4047
Polarizability
20.408619
Polar Surface Area
17.07
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
References
Bioactivity
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