Molecule

ID:84799

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)
InChIKey
QLNWXBAGRTUKKI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)O
Isomeric Smiles
N(c1cccc(c1)O)C(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.90
LogD (pH = 5.5)
0.91
Log P
0.91
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.24
Polar Surface Area
49.33
Polarizability
15.44
Molar Refractivity
42.90
LOG S
-1.13
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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