Molecule

ID:84479

General Information
Structure
MolImage
Molecular Formula
C₈H₇NO₂
Molecular Mass
149.14668
Exact Mass
149.04767847
Charge
0
InChI
InChI=1S/C8H7NO2/c1-5-3-2-4-6-7(5)11-9-8(6)10/h2-4H,1H3,(H,9,10)
InChIKey
JUNCQBPTXAQOSA-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1onc2O
Isomeric Smiles
n1c(c2cccc(c2o1)C)O
Calculated Properties
JChem
Acid pKa
6.2716866
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0954998
LogD (pH = 7.4)
1.1595428
Log P
2.1609826
Molar Refractivity
41.1633
Polarizability
16.201473
Polar Surface Area
46.26
Rotatable Bonds
0
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
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References
Bioactivity
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