Molecule

ID:75199

General Information
Structure
MolImage
Molecular Formula
C₃H₄Cl₂O
Molecular Mass
126.96926
Exact Mass
125.96392011
Charge
0
InChI
InChI=1S/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2
InChIKey
INUNLMUAPJVRME-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)Cl
Isomeric Smiles
ClCCC(=O)Cl
Calculated Properties
JChem
Acid pKa
18.622553
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0843405
LogD (pH = 7.4)
1.0843405
Log P
1.0843405
Molar Refractivity
25.9548
Polarizability
10.192944
Polar Surface Area
17.07
Rotatable Bonds
2
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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