Molecule

ID:70970

General Information
Structure
MolImage
Molecular Formula
C₈H₉BrO
Molecular Mass
201.06046
Exact Mass
199.98367691
Charge
0
InChI
InChI=1S/C8H9BrO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,10H,5-6H2
InChIKey
JQZKOBFRLUVZLO-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)CBr
Isomeric Smiles
C(c1cc(ccc1)CBr)O
Calculated Properties
JChem
Acid pKa
14.992261
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9786334
LogD (pH = 7.4)
1.9786334
Log P
1.9786334
Molar Refractivity
45.7243
Polarizability
17.314608
Polar Surface Area
20.23
Rotatable Bonds
2
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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