Molecule

ID:89414

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₂
Molecular Mass
122.12134
Exact Mass
122.03677943
Charge
0
InChI
InChI=1S/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2
InChIKey
FTNJQNQLEGKTGD-UHFFFAOYSA-N
Canonic Smiles
C1Oc2c(O1)cccc2
Isomeric Smiles
O1c2c(cccc2)OC1
Calculated Properties
JChem
LogD (pH = 7.4)
1.60
LogD (pH = 5.5)
1.60
Log P
1.60
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
13.56
Polar Surface Area
18.46
Polarizability
12.02
Molar Refractivity
31.82
LOG S
-1.83
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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