Molecule

ID:135500

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO₃
Molecular Mass
153.13538
Exact Mass
153.04259309
Charge
0
InChI
InChI=1S/C7H7NO3/c1-5(9)11-6-3-2-4-8-7(6)10/h2-4H,1H3,(H,8,10)
InChIKey
AVXFMBRAPTYFOX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc[nH]c1=O
Isomeric Smiles
CC(=O)Oc1ccc[nH]c1=O
Calculated Properties
JChem
Acid pKa
10.5675535
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.31913945
LogD (pH = 7.4)
-0.31939766
Log P
-0.31913614
Molar Refractivity
39.1642
Polarizability
14.453401
Polar Surface Area
55.4
Rotatable Bonds
2
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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