Molecule

ID:65522

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClINO₂
Molecular Mass
297.47757
Exact Mass
296.90535409
Charge
0
InChI
InChI=1S/C7H5ClINO2/c8-4-3-10-7-6(5(4)9)11-1-2-12-7/h3H,1-2H2
InChIKey
BYPNIKVZUWBAAA-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc2c(c1I)OCCO2
Isomeric Smiles
c1(cnc2c(c1I)OCCO2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.396152
LogD (pH = 7.4)
2.3961525
Log P
2.3961525
Molar Refractivity
53.3393
Polarizability
21.149473
Polar Surface Area
31.35
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
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References
Bioactivity
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