Molecule

ID:8484

General Information
Structure
MolImage
Molecular Formula
C₅H₄IN
Molecular Mass
204.99643
Exact Mass
204.93884713
Charge
0
InChI
InChI=1S/C5H4IN/c6-5-2-1-3-7-4-5/h1-4H
InChIKey
XDELKSRGBLWMBA-UHFFFAOYSA-N
Canonic Smiles
Ic1cccnc1
Isomeric Smiles
c1cncc(c1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6806678
LogD (pH = 7.4)
1.6844691
Log P
1.6845179
Molar Refractivity
37.2636
Polarizability
14.659722
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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