Molecule

ID:83442

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂Cl₂O₂
Molecular Mass
211.08568
Exact Mass
210.02143498
Charge
0
InChI
InChI=1S/C8H12Cl2O2/c1-7(2,3)6(11)12-5-4-8(5,9)10/h5H,4H2,1-3H3
InChIKey
BZMNBKWURGNGRM-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)OC1CC1(Cl)Cl
Isomeric Smiles
O(C1C(C1)(Cl)Cl)C(=O)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.448127
LogD (pH = 7.4)
3.448127
Log P
3.448127
Molar Refractivity
47.7732
Polarizability
19.28647
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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