Molecule

ID:135035

General Information
Structure
MolImage
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
c1ccc(cc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9767228
LogD (pH = 7.4)
1.9767228
Log P
1.9767228
Molar Refractivity
38.0833
Polarizability
14.770968
Polar Surface Area
26.3
Rotatable Bonds
2
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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