Molecule

ID:125103

General Information
Structure
MolImage
Molecular Formula
C₄H₆Cl₂O₂
Molecular Mass
156.99524
Exact Mass
155.97448479
Charge
0
InChI
InChI=1S/C4H6Cl2O2/c1-3(7)8-4(6)2-5/h4H,2H2,1H3
InChIKey
QRNBACUXNLBSDC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OC(CCl)Cl
Isomeric Smiles
CC(=O)OC(CCl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4165723
LogD (pH = 7.4)
1.4165723
Log P
1.4165723
Molar Refractivity
31.3236
Polarizability
12.74821
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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