Molecule

ID:68079

General Information
Structure
Molecular Formula
C₆H₃IN₂
Molecular Mass
230.00589
Exact Mass
229.93409611
Charge
0
InChI
InChI=1S/C6H3IN2/c7-5-2-1-3-9-6(5)4-8/h1-3H
InChIKey
MZZGCCSFZCRVAF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncccc1I
Isomeric Smiles
c1(c(cccn1)I)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9264638
LogD (pH = 7.4)
1.9264643
Log P
1.9264644
Molar Refractivity
42.6132
Polarizability
16.54475
Polar Surface Area
36.68
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
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Molecule Details
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References
Bioactivity
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