Molecule

ID:78366

General Information
Structure
Molecular Formula
C₄H₄Cl₂O₃
Molecular Mass
170.97876
Exact Mass
169.95374935
Charge
0
InChI
InChI=1S/C4H4Cl2O3/c5-1-3(7)9-4(8)2-6/h1-2H2
InChIKey
PNVPNXKRAUBJGW-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)OC(=O)CCl
Isomeric Smiles
O(C(=O)CCl)C(=O)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7621682
LogD (pH = 7.4)
0.7621682
Log P
0.7621682
Molar Refractivity
31.5884
Polarizability
12.950925
Polar Surface Area
43.37
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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