Molecule

ID:54168

General Information
Structure
MolImage
Molecular Formula
C₇H₅NO₃
Molecular Mass
151.1195
Exact Mass
151.02694303
Charge
0
InChI
InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
InChIKey
MMAIBGHDBYQYDI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2c([nH]1)cco2
Isomeric Smiles
c1c([nH]c2c1occ2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5684826
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1062522
LogD (pH = 7.4)
-2.5274513
Log P
0.8192385
Molar Refractivity
36.6691
Polarizability
14.769625
Polar Surface Area
66.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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