Molecule

ID:58456

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₃
Molecular Mass
140.13662
Exact Mass
140.04734412
Charge
0
InChI
InChI=1S/C7H8O3/c1-10-7-3-2-5(8)4-6(7)9/h2-4,8-9H,1H3
InChIKey
GPJJASIJVRXZFI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1O)O
Isomeric Smiles
c1cc(cc(c1OC)O)O
Calculated Properties
JChem
Acid pKa
9.679977
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2084154
LogD (pH = 7.4)
1.2061844
Log P
1.2084439
Molar Refractivity
36.483
Polarizability
14.077285
Polar Surface Area
49.69
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
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References
Bioactivity
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