Molecule

ID:76446

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅NO₂
Molecular Mass
171.1522
Exact Mass
171.03202841
Charge
0
InChI
InChI=1S/C10H5NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6H
InChIKey
SFWNPLLGXKJESA-UHFFFAOYSA-N
Canonic Smiles
N#Cc1coc2c(c1=O)cccc2
Isomeric Smiles
o1cc(c(=O)c2c1cccc2)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4813392
LogD (pH = 7.4)
1.4813392
Log P
1.4813392
Molar Refractivity
46.3417
Polarizability
17.29928
Polar Surface Area
50.09
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
References
Bioactivity
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