Molecule

ID:104353

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₂
Molecular Mass
124.13722
Exact Mass
124.0524295
Charge
0
InChI
InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3
InChIKey
ZTMADXFOCUXMJE-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1C)O
Isomeric Smiles
Cc1c(O)cccc1O
Calculated Properties
JChem
Acid pKa
9.685869
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8795084
LogD (pH = 7.4)
1.877306
Log P
1.8795365
Molar Refractivity
35.061
Polarizability
13.302016
Polar Surface Area
40.46
Rotatable Bonds
0
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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