Molecule

ID:91325

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₂
Molecular Mass
136.14792
Exact Mass
136.0524295
Charge
0
InChI
InChI=1S/C8H8O2/c1-6-3-2-4-7(5-9)8(6)10/h2-5,10H,1H3
InChIKey
IPPQNXSAJZOTJZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1O)C
Isomeric Smiles
O=Cc1c(c(ccc1)C)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.54
LogD (pH = 5.5)
2.55
Log P
2.55
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.37
Polar Surface Area
37.30
Polarizability
13.95
Molar Refractivity
39.66
LOG S
-1.19
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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