Molecule

ID:108878

General Information
Structure
MolImage
Molecular Formula
C₃H₄Cl₂O₂
Molecular Mass
142.96866
Exact Mass
141.95883473
Charge
0
InChI
InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
InChIKey
NDUPDOJHUQKPAG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cl)(Cl)C
Isomeric Smiles
CC(Cl)(Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
2.6257284
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2529217
LogD (pH = 7.4)
-1.970297
Log P
1.5351396
Molar Refractivity
27.623
Polarizability
10.750083
Polar Surface Area
37.3
Rotatable Bonds
1
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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