Molecule

ID:10609

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,9H2,1H3,(H,10,11)
InChIKey
NHFKECPTBZZFBC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1)C)N
Isomeric Smiles
c1c(c(cc(c1)C(=O)O)C)N
Calculated Properties
JChem
Acid pKa
4.764424
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.48758218
LogD (pH = 7.4)
-1.28634
Log P
1.3153242
Molar Refractivity
43.0558
Polarizability
15.567325
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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