Molecule

ID:107824

General Information
Structure
MolImage
Molecular Formula
C₂H₄Cl₂O
Molecular Mass
114.95856
Exact Mass
113.96392011
Charge
0
InChI
InChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2
InChIKey
IDJOCJAIQSKSOP-UHFFFAOYSA-N
Canonic Smiles
OCC(Cl)Cl
Isomeric Smiles
OCC(Cl)Cl
Calculated Properties
JChem
Acid pKa
13.558626
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.81461304
LogD (pH = 7.4)
0.81461275
Log P
0.81461304
Molar Refractivity
22.6587
Polarizability
8.904082
Polar Surface Area
20.23
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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