Molecule

ID:23756

General Information
Structure
MolImage
Molecular Formula
C₅H₃FIN
Molecular Mass
222.9868932
Exact Mass
222.92942532
Charge
0
InChI
InChI=1S/C5H3FIN/c6-4-1-5(7)3-8-2-4/h1-3H
InChIKey
MMJSSIRVEYQWMU-UHFFFAOYSA-N
Canonic Smiles
Fc1cncc(c1)I
Isomeric Smiles
c1(cncc(c1)F)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8272066
LogD (pH = 7.4)
1.8272196
Log P
1.8272198
Molar Refractivity
37.48
Polarizability
14.574041
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
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References
Bioactivity
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