Molecule
ID:91431
General Information
Molecular Formula
C₆H₁₀Cl₂O
Molecular Mass
169.049
Exact Mass
168.0108703
Charge
0
InChI
InChI=1S/C6H10Cl2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3
InChIKey
UDWZXMQIEHAAQT-UHFFFAOYSA-N
Canonic Smiles
ClC(C(=O)C(C)(C)C)Cl
Isomeric Smiles
ClC(C(=O)C(C)(C)C)Cl
Calculated Properties
JChem
Acid pKa
14.633725
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1873446
LogD (pH = 7.4)
3.1873446
Log P
3.1873446
Molar Refractivity
39.873
Polarizability
15.598086
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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