Molecule

ID:50279

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₂
Molecular Mass
136.14792
Exact Mass
136.0524295
Charge
0
InChI
InChI=1S/C8H8O2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,9H,3-4H2
InChIKey
JNYKOGUXPNAUIB-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)CCO2
Isomeric Smiles
c12c(OCC2)ccc(c1)O
Calculated Properties
JChem
Acid pKa
9.991505
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5518838
LogD (pH = 7.4)
1.5507927
Log P
1.5518978
Molar Refractivity
37.8117
Polarizability
14.48319
Polar Surface Area
29.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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