Molecule

ID:112213

General Information
Structure
MolImage
Molecular Formula
C₃H₃Cl₃O₄
Molecular Mass
209.41252
Exact Mass
207.90969162
Charge
0
InChI
InChI=1S/C3H3Cl3O4/c4-3(5,6)2(9,10)1(7)8/h9-10H,(H,7,8)
InChIKey
IMXRFUZDYLVLKI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(Cl)(Cl)Cl)(O)O
Isomeric Smiles
OC(=O)C(O)(O)C(Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
1.9530057
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.528487
LogD (pH = 7.4)
-2.8367898
Log P
0.7090237
Molar Refractivity
35.5881
Polarizability
14.236107
Polar Surface Area
77.76
Rotatable Bonds
2
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
References
Bioactivity
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