Molecule

ID:8757

General Information
Structure
Molecular Formula
C₂H₂IN
Molecular Mass
166.94845
Exact Mass
166.92319707
Charge
0
InChI
InChI=1S/C2H2IN/c3-1-2-4/h1H2
InChIKey
VODKOOOHHCAWFR-UHFFFAOYSA-N
Canonic Smiles
ICC#N
Isomeric Smiles
ICC#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.780164
LogD (pH = 7.4)
0.780164
Log P
0.780164
Molar Refractivity
24.7068
Polarizability
9.640776
Polar Surface Area
23.79
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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