Molecule

ID:108211

General Information
Structure
MolImage
Molecular Formula
C₄H₆Cl₂O₂
Molecular Mass
156.99524
Exact Mass
155.97448479
Charge
0
InChI
InChI=1S/C4H6Cl2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3
InChIKey
OFHMODDLBXETIK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(CCl)Cl
Isomeric Smiles
COC(=O)C(Cl)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3363383
LogD (pH = 7.4)
1.3363383
Log P
1.3363383
Molar Refractivity
31.2546
Polarizability
12.742538
Polar Surface Area
26.3
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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