Molecule

ID:107661

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₃
Molecular Mass
140.13662
Exact Mass
140.04734412
Charge
0
InChI
InChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3
InChIKey
LPYUENQFPVNPHY-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1O)O
Isomeric Smiles
COc1cccc(O)c1O
Calculated Properties
JChem
LogD (pH = 7.4)
1.21
LogD (pH = 5.5)
1.21
Log P
1.21
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.56
Polar Surface Area
49.69
Polarizability
13.59
Molar Refractivity
36.48
LOG S
-0.59
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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