Molecule

ID:136711

General Information
Structure
MolImage
Molecular Formula
C₆H₈Cl₂O₄
Molecular Mass
215.03132
Exact Mass
213.9799641
Charge
0
InChI
InChI=1S/C6H8Cl2O4/c7-5(9)11-3-1-2-4-12-6(8)10/h1-4H2
InChIKey
AUKORMQZRYQYGI-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)OCCCCOC(=O)Cl
Isomeric Smiles
C(CCOC(=O)Cl)COC(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2643476
LogD (pH = 7.4)
2.2643476
Log P
2.2643476
Molar Refractivity
43.7926
Polarizability
17.398958
Polar Surface Area
52.6
Rotatable Bonds
7
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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