Molecule

ID:3132

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₂
Molecular Mass
124.13722
Exact Mass
124.0524295
Charge
0
InChI
InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
InChIKey
PGSWEKYNAOWQDF-UHFFFAOYSA-N
Canonic Smiles
Oc1c(C)cccc1O
Isomeric Smiles
Cc1cccc(O)c1O
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
9.59
Polar Surface Area
40.46
Polarizability
12.73
Molar Refractivity
35.06
LOG S
-0.83
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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