Molecule

ID:67351

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)
InChIKey
RPGKFFKUTVJVPY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)C(=O)O
Isomeric Smiles
C(=O)(c1c(cc(cc1)C)N)O
Calculated Properties
JChem
Acid pKa
5.090253
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2605993
LogD (pH = 7.4)
-0.46344647
Log P
1.9653242
Molar Refractivity
43.0558
Polarizability
15.569276
Polar Surface Area
63.32
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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