Molecule

ID:74427

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKey
WVMBPWMAQDVZCM-UHFFFAOYSA-N
Canonic Smiles
CNc1ccccc1C(=O)O
Isomeric Smiles
OC(=O)c1c(cccc1)NC
Calculated Properties
JChem
LogD (pH = 7.4)
-0.91
LogD (pH = 5.5)
0.84
Log P
1.75
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.85
Polar Surface Area
49.33
Polarizability
15.39
Molar Refractivity
43.51
LOG S
-1.32
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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