Molecule

ID:43793

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClINO
Molecular Mass
269.46747
Exact Mass
268.91043947
Charge
0
InChI
InChI=1S/C6H5ClINO/c1-10-4-2-3-5(8)9-6(4)7/h2-3H,1H3
InChIKey
MPLOTJYNXWEZCW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(nc1Cl)I
Isomeric Smiles
n1c(c(ccc1I)OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.383656
LogD (pH = 7.4)
2.383656
Log P
2.383656
Molar Refractivity
49.301
Polarizability
19.371124
Polar Surface Area
22.12
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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