Molecule

ID:135147

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₃
Molecular Mass
145.06932387
Exact Mass
145.05517792
Charge
0
InChI
InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1,7+1
InChIKey
FJKROLUGYXJWQN-BNUYUSEDSA-N
Canonic Smiles
O[13c]1[13cH][13cH][13c]([13cH][13cH]1)[13C](=O)O
Isomeric Smiles
[13cH]1[13cH][13c]([13cH][13cH][13c]1[13C](=O)O)O
Calculated Properties
JChem
Acid pKa
4.379964
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.17713934
LogD (pH = 7.4)
-1.5782366
Log P
1.3272634
Molar Refractivity
35.2951
Polarizability
13.296186
Polar Surface Area
57.53
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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