Molecule

ID:89672

General Information
Structure
Molecular Formula
C₇H₈O₂
Molecular Mass
124.13722
Exact Mass
124.0524295
Charge
0
InChI
InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
InChIKey
OIPPWFOQEKKFEE-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(O)cc(c1)O
Isomeric Smiles
Oc1cc(cc(c1)C)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.88
LogD (pH = 5.5)
1.88
Log P
1.88
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.39
Polar Surface Area
40.46
Polarizability
12.86
Molar Refractivity
35.06
LOG S
-1.06
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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