Molecule

ID:85289

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₄O₂
Molecular Mass
306.01308
Exact Mass
303.95914034
Charge
0
InChI
InChI=1S/C10H12Cl4O2/c1-7(2,3)16-6(15)5-4-8(5)9(11,12)10(8,13)14/h5H,4H2,1-3H3
InChIKey
DXCZUYDOAQRWGN-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC21C(C2(Cl)Cl)(Cl)Cl)OC(C)(C)C
Isomeric Smiles
O(C(=O)C1C2(C1)C(C2(Cl)Cl)(Cl)Cl)C(C)(C)C
Calculated Properties
JChem
Acid pKa
19.733097
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.125501
LogD (pH = 7.4)
4.125501
Log P
4.125501
Molar Refractivity
65.6471
Polarizability
26.073872
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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