Molecule

ID:37059

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClO₃
Molecular Mass
208.5979
Exact Mass
207.9927217
Charge
0
InChI
InChI=1S/C10H5ClO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H
InChIKey
LIGLNCRTMDRUAO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1coc2c(c1=O)cc(cc2)Cl
Isomeric Smiles
c1(ccc2c(c1)c(=O)c(co2)C=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.702152
LogD (pH = 7.4)
1.702152
Log P
1.702152
Molar Refractivity
51.2418
Polarizability
19.451479
Polar Surface Area
43.37
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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