Molecule

ID:88136

General Information
Structure
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Molecular Formula
C₅H₃NO
Molecular Mass
93.08342
Exact Mass
93.02146372
Charge
0
InChI
InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H
InChIKey
ZQFYJHMUAWCEBH-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cocc1
Isomeric Smiles
o1ccc(c1)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9695875
LogD (pH = 7.4)
0.9695875
Log P
0.9695875
Molar Refractivity
24.293
Polarizability
9.042976
Polar Surface Area
36.93
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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