Molecule

ID:112299

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁BrO
Molecular Mass
239.10844
Exact Mass
237.99932697
Charge
0
InChI
InChI=1S/C11H11BrO/c12-11(7-4-8-11)10(13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
QRQXQUHNYPUQQT-UHFFFAOYSA-N
Canonic Smiles
O=C(C1(Br)CCC1)c1ccccc1
Isomeric Smiles
BrC1(CCC1)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3920128
LogD (pH = 7.4)
3.3920128
Log P
3.3920128
Molar Refractivity
56.0495
Polarizability
21.524784
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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