Molecule

ID:15088

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKey
KHMNCHDUSFCTGK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccccc1N
Isomeric Smiles
c1ccc(c(c1)CC(=O)O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-1.90
LogD (pH = 5.5)
-0.19
Log P
0.33
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.21
Polar Surface Area
63.32
Polarizability
15.13
Molar Refractivity
42.07
LOG S
-0.88
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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