Molecule

ID:85330

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂Cl₂O₂
Molecular Mass
211.08568
Exact Mass
210.02143498
Charge
0
InChI
InChI=1S/C8H12Cl2O2/c1-4(2)12-7(11)6-5(3)8(6,9)10/h4-6H,1-3H3
InChIKey
JFFYDGAPRCIEIN-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)C1C(C1(Cl)Cl)C)C
Isomeric Smiles
O(C(=O)C1C(C1C)(Cl)Cl)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6933706
LogD (pH = 7.4)
2.6933706
Log P
2.6933706
Molar Refractivity
48.5642
Polarizability
19.285534
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
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References
Bioactivity
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