Molecule

ID:90286

General Information
Structure
MolImage
Molecular Formula
C₅H₇NO₂
Molecular Mass
113.11458
Exact Mass
113.04767847
Charge
0
InChI
InChI=1S/C5H7NO2/c1-4-6-5(2-7)3-8-4/h3,7H,2H2,1H3
InChIKey
BGPDSEDYUPFTBI-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(co1)CO
Isomeric Smiles
o1cc(nc1C)CO
Calculated Properties
JChem
Acid pKa
13.752887
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6476798
LogD (pH = 7.4)
-0.64767617
Log P
-0.64767593
Molar Refractivity
27.5018
Polarizability
10.594973
Polar Surface Area
46.26
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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