Molecule

ID:44857

General Information
Structure
MolImage
Molecular Formula
C₅H₃FINO
Molecular Mass
238.9862932
Exact Mass
238.92433994
Charge
0
InChI
InChI=1S/C5H3FINO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKey
KCBSXUQSZXQHQM-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)I)O
Isomeric Smiles
c1(cnc(c(c1)I)O)F
Calculated Properties
JChem
Acid pKa
9.928743
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.118096
LogD (pH = 7.4)
2.116845
Log P
2.118112
Molar Refractivity
39.7744
Polarizability
15.324431
Polar Surface Area
33.12
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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