Molecule

ID:53123

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂
Molecular Mass
209.62902
Exact Mass
209.02435618
Charge
0
InChI
InChI=1S/C10H8ClNO2/c1-14-10(13)7-5-9-6(2-3-12-9)4-8(7)11/h2-5,12H,1H3
InChIKey
OXHPSEFJDMSMRV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2[nH]ccc2cc1Cl
Isomeric Smiles
[nH]1ccc2cc(c(cc12)C(=O)OC)Cl
Calculated Properties
JChem
Acid pKa
14.629992
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6795294
LogD (pH = 7.4)
2.6795294
Log P
2.6795294
Molar Refractivity
53.9746
Polarizability
21.837105
Polar Surface Area
42.09
Rotatable Bonds
2
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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