Molecule

ID:90455

General Information
Structure
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Molecular Formula
C₈H₈O₂
Molecular Mass
136.14792
Exact Mass
136.0524295
Charge
0
InChI
InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
QPJVMBTYPHYUOC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)OC
Calculated Properties
JChem
LogD (pH = 7.4)
1.98
LogD (pH = 5.5)
1.98
Log P
1.98
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-6.88
Polar Surface Area
26.30
Polarizability
14.15
Molar Refractivity
38.08
LOG S
-1.67
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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