Molecule

ID:90279

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O
Molecular Mass
108.09806
Exact Mass
108.03236276
Charge
0
InChI
InChI=1S/C5H4N2O/c6-2-1-5-3-8-4-7-5/h3-4H,1H2
InChIKey
DNNRHZCLOOHTDI-UHFFFAOYSA-N
Canonic Smiles
C(c1cocn1)C#N
Isomeric Smiles
o1cc(nc1)CC#N
Calculated Properties
JChem
Acid pKa
10.232884
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.0033233592
LogD (pH = 7.4)
-0.0039523533
Log P
-0.0033153177
Molar Refractivity
26.6823
Polarizability
9.890574
Polar Surface Area
49.82
Rotatable Bonds
1
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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