Molecule

ID:10608

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKey
WNAJXPYVTFYEST-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1N)C
Isomeric Smiles
c1cc(c(c(c1)C(=O)O)N)C
Calculated Properties
JChem
Acid pKa
4.865867
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.124208
LogD (pH = 7.4)
-0.63310707
Log P
1.9653242
Molar Refractivity
43.0558
Polarizability
15.569239
Polar Surface Area
63.32
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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