Molecule

ID:53941

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClINO
Molecular Mass
255.44089
Exact Mass
254.8947894
Charge
0
InChI
InChI=1S/C5H3ClINO/c6-4-1-3(7)2-8-5(4)9/h1-2H,(H,8,9)
InChIKey
LZNQZDFOAHWVPM-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc(c(c1)Cl)O
Isomeric Smiles
c1(cnc(c(c1)Cl)O)I
Calculated Properties
JChem
Acid pKa
9.40561
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5794013
LogD (pH = 7.4)
2.5752466
Log P
2.5794547
Molar Refractivity
44.3628
Polarizability
17.419651
Polar Surface Area
33.12
Rotatable Bonds
0
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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