Molecule

ID:56748

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂O₂
Molecular Mass
233.0912
Exact Mass
232.00578492
Charge
0
InChI
InChI=1S/C10H10Cl2O2/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3
InChIKey
OODRWLGKUBMFLZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OC(C(=O)Cl)(C)C
Isomeric Smiles
C(C(=O)Cl)(Oc1ccc(Cl)cc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4324622
LogD (pH = 7.4)
3.4324622
Log P
3.4324622
Molar Refractivity
56.4763
Polarizability
22.22365
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
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References
Bioactivity
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