Molecule

ID:12249

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO₂
Molecular Mass
139.15186
Exact Mass
139.06332853
Charge
0
InChI
InChI=1S/C7H9NO2/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3
InChIKey
YJWCNOMJKJYKLQ-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(c(o1)C(=O)C)C
Isomeric Smiles
c1(nc(oc1C(=O)C)C)C
Calculated Properties
JChem
Acid pKa
14.360627
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.3527804
LogD (pH = 7.4)
-0.35277933
Log P
-0.35277927
Molar Refractivity
36.0799
Polarizability
13.625534
Polar Surface Area
43.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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