Molecule

ID:91324

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₂
Molecular Mass
136.14792
Exact Mass
136.0524295
Charge
0
InChI
InChI=1S/C8H8O2/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3
InChIKey
JODRRPJMQDFCBJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1O)C
Isomeric Smiles
O=Cc1c(cc(cc1)C)O
Calculated Properties
JChem
Acid pKa
8.502519
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5451758
LogD (pH = 7.4)
2.5128345
Log P
2.5456042
Molar Refractivity
39.6641
Polarizability
14.59081
Polar Surface Area
37.3
Rotatable Bonds
1
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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