Molecule

ID:112534

General Information
Structure
MolImage
Molecular Formula
C₄H₆Cl₂O₃
Molecular Mass
172.99464
Exact Mass
171.96939941
Charge
0
InChI
InChI=1S/C4H6Cl2O3/c5-3(6)4(8)9-2-1-7/h3,7H,1-2H2
InChIKey
YLTRHKHSEKYGFP-UHFFFAOYSA-N
Canonic Smiles
OCCOC(=O)C(Cl)Cl
Isomeric Smiles
OCCOC(=O)C(Cl)Cl
Calculated Properties
JChem
Acid pKa
15.096397
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.51397467
LogD (pH = 7.4)
0.51397467
Log P
0.51397467
Molar Refractivity
33.6809
Polarizability
13.480772
Polar Surface Area
46.53
Rotatable Bonds
4
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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