Molecule

ID:3742

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₂
Molecular Mass
124.13722
Exact Mass
124.0524295
Charge
0
InChI
InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
InChIKey
ZBCATMYQYDCTIZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)O)O
Isomeric Smiles
Cc1ccc(O)c(O)c1
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
9.55
Polar Surface Area
40.46
Polarizability
12.82
Molar Refractivity
35.06
LOG S
-1.06
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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