Molecule

ID:70084

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClO₃
Molecular Mass
212.62966
Exact Mass
212.02402183
Charge
0
InChI
InChI=1S/C10H9ClO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
InChIKey
BIELZWDKOJZMOG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)c1ccc(cc1)Cl
Isomeric Smiles
C(=O)(C(=O)c1ccc(cc1)Cl)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8305676
LogD (pH = 7.4)
2.8305676
Log P
2.8305676
Molar Refractivity
52.5782
Polarizability
20.431492
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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