Molecule

ID:12013

General Information
Structure
MolImage
Molecular Formula
C₃H₅FINO
Molecular Mass
216.9807732
Exact Mass
216.93999001
Charge
0
InChI
InChI=1S/C3H5FINO/c1-6-3(7)2(4)5/h2H,1H3,(H,6,7)
InChIKey
YTCJMPNDFGALAO-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)C(I)F
Isomeric Smiles
C(=O)(C(F)I)NC
Calculated Properties
JChem
Acid pKa
9.942744
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7412868
LogD (pH = 7.4)
0.74019974
Log P
0.7413007
Molar Refractivity
31.9527
Polarizability
12.836472
Polar Surface Area
29.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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