Molecule

ID:111043

General Information
Structure
MolImage
Molecular Formula
C₃H₃N
Molecular Mass
53.06262
Exact Mass
53.0265491
Charge
0
InChI
InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
InChIKey
NLHHRLWOUZZQLW-UHFFFAOYSA-N
Canonic Smiles
C=CC#N
Isomeric Smiles
C=CC#N
Calculated Properties
JChem
LogD (pH = 7.4)
0.76
LogD (pH = 5.5)
0.76
Log P
0.76
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Polar Surface Area
23.79
Polarizability
5.34
Molar Refractivity
16.27
LOG S
-0.22
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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