Molecule

ID:89768

General Information
Structure
MolImage
Molecular Formula
C₄H₆Cl₂O
Molecular Mass
140.99584
Exact Mass
139.97957017
Charge
0
InChI
InChI=1S/C4H6Cl2O/c5-3-1-2-4(6)7/h1-3H2
InChIKey
CDIIZULDSLKBKV-UHFFFAOYSA-N
Canonic Smiles
ClCCCC(=O)Cl
Isomeric Smiles
ClCCCC(=O)Cl
Calculated Properties
JChem
Acid pKa
19.260254
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3730017
LogD (pH = 7.4)
1.3730017
Log P
1.3730017
Molar Refractivity
30.7098
Polarizability
11.992622
Polar Surface Area
17.07
Rotatable Bonds
3
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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