Molecule

ID:85674

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₃
Molecular Mass
138.12074
Exact Mass
138.03169405
Charge
0
InChI
InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
InChIKey
LUSZGTFNYDARNI-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)OCO2
Isomeric Smiles
O1c2c(ccc(c2)O)OC1
Calculated Properties
JChem
Acid pKa
9.794859
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2928921
LogD (pH = 7.4)
1.2911781
Log P
1.2929139
Molar Refractivity
33.8058
Polarizability
13.429402
Polar Surface Area
38.69
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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