Molecule

ID:79233

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₄Cl₂O₄
Molecular Mass
423.32956
Exact Mass
422.10516461
Charge
0
InChI
InChI=1S/C22H24Cl2O4/c1-21(2,13-23)19(25)27-16-10-11-18(28-20(26)22(3,4)14-24)17(12-16)15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3
InChIKey
LFPSPAJLKAWGHP-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(=O)Oc1ccc(c(c1)c1ccccc1)OC(=O)C(CCl)(C)C)(C)C
Isomeric Smiles
O(c1ccc(cc1c1ccccc1)OC(=O)C(CCl)(C)C)C(=O)C(CCl)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.5817075
LogD (pH = 7.4)
6.5817075
Log P
6.5817075
Molar Refractivity
110.5152
Polarizability
44.811428
Polar Surface Area
52.6
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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