Molecule

ID:42599

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈Cl₂O₂
Molecular Mass
349.25102
Exact Mass
348.06838518
Charge
0
InChI
InChI=1S/C19H18Cl2O2/c1-13(22)19(14(2)23,11-15-3-7-17(20)8-4-15)12-16-5-9-18(21)10-6-16/h3-10H,11-12H2,1-2H3
InChIKey
BWARYGHRIRQXMS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C(C(=O)C)(Cc1ccc(cc1)Cl)Cc1ccc(cc1)Cl
Isomeric Smiles
C(C(=O)C)(C(=O)C)(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
18.320461
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.791969
LogD (pH = 7.4)
5.791969
Log P
5.791969
Molar Refractivity
94.1671
Polarizability
36.682053
Polar Surface Area
34.14
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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