Molecule

ID:89997

General Information
Structure
Molecular Formula
C₅H₄IN
Molecular Mass
204.99643
Exact Mass
204.93884713
Charge
0
InChI
InChI=1S/C5H4IN/c6-5-3-1-2-4-7-5/h1-4H
InChIKey
CCZWSTFVHJPCEM-UHFFFAOYSA-N
Canonic Smiles
Ic1ccccn1
Isomeric Smiles
n1c(cccc1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.717051
LogD (pH = 7.4)
1.7171048
Log P
1.7171055
Molar Refractivity
36.9717
Polarizability
14.733643
Polar Surface Area
12.89
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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