Molecule

ID:43077

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClO₃
Molecular Mass
212.62966
Exact Mass
212.02402183
Charge
0
InChI
InChI=1S/C10H9ClO3/c1-7(12)14-6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKey
FTUYTARZCNUSDA-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)Cl)COC(=O)C
Isomeric Smiles
C(=O)(c1ccc(cc1)Cl)COC(=O)C
Calculated Properties
JChem
Acid pKa
13.681311
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7588154
LogD (pH = 7.4)
1.7588152
Log P
1.7588154
Molar Refractivity
52.1193
Polarizability
20.43439
Polar Surface Area
43.37
Rotatable Bonds
4
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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