Molecule

ID:44865

General Information
Structure
Molecular Formula
C₅H₃ClINO
Molecular Mass
255.44089
Exact Mass
254.8947894
Charge
0
InChI
InChI=1S/C5H3ClINO/c6-3-1-2-8-5(7)4(3)9/h1-2,9H
InChIKey
KKNJMBFLGVEVCW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc(c1O)I
Isomeric Smiles
c1cnc(c(c1Cl)O)I
Calculated Properties
JChem
Acid pKa
6.10778
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.924421
LogD (pH = 7.4)
0.8741992
Log P
2.0175848
Molar Refractivity
43.7574
Polarizability
17.489538
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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