Molecule

ID:75896

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O
Molecular Mass
108.09806
Exact Mass
108.03236276
Charge
0
InChI
InChI=1S/C5H4N2O/c1-4-2-5(3-6)7-8-4/h2H,1H3
InChIKey
JTPIMYCMWLOEDD-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(no1)C#N
Isomeric Smiles
n1c(cc(o1)C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.779299
LogD (pH = 7.4)
0.7792991
Log P
0.7792991
Molar Refractivity
27.9993
Polarizability
9.970457
Polar Surface Area
49.82
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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