Molecule

ID:9982

General Information
Structure
MolImage
Molecular Formula
C₇H₄IN
Molecular Mass
229.01783
Exact Mass
228.93884713
Charge
0
InChI
InChI=1S/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey
XOKDXPVXJWTSRM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)I
Isomeric Smiles
c1c(ccc(c1)C#N)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7582865
LogD (pH = 7.4)
2.7582865
Log P
2.7582865
Molar Refractivity
45.1421
Polarizability
17.315943
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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