Molecule

ID:54209

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-6(10)8-5-7(11-2)3-4-9-8/h3-5H,1-2H3
InChIKey
VYESAHFYMWMHMN-UHFFFAOYSA-N
Canonic Smiles
COc1ccnc(c1)C(=O)C
Isomeric Smiles
c1cnc(cc1OC)C(=O)C
Calculated Properties
JChem
Acid pKa
14.837172
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.52195656
LogD (pH = 7.4)
0.54114926
Log P
0.54139996
Molar Refractivity
40.3951
Polarizability
15.694882
Polar Surface Area
39.19
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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