Molecule

ID:69685

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₂
Molecular Mass
124.13722
Exact Mass
124.0524295
Charge
0
InChI
InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKey
NWVVVBRKAWDGAB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)O
Isomeric Smiles
c1(ccc(cc1)OC)O
Calculated Properties
JChem
Acid pKa
9.940503
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5119935
LogD (pH = 7.4)
1.5107667
Log P
1.5120093
Molar Refractivity
34.5021
Polarizability
13.446932
Polar Surface Area
29.46
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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