Molecule

ID:90931

General Information
Structure
MolImage
Molecular Formula
C₅H₆Cl₂O₂
Molecular Mass
169.00594
Exact Mass
167.97448479
Charge
0
InChI
InChI=1S/C5H6Cl2O2/c6-4(8)2-1-3-5(7)9/h1-3H2
InChIKey
YVOFTMXWTWHRBH-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)CCCC(=O)Cl
Isomeric Smiles
O=C(CCCC(=O)Cl)Cl
Calculated Properties
JChem
Acid pKa
19.272276
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.112745
LogD (pH = 7.4)
1.112745
Log P
1.112745
Molar Refractivity
35.855
Polarizability
14.013421
Polar Surface Area
34.14
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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