Molecule

ID:122105

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₂O₃
Molecular Mass
311.15998
Exact Mass
310.0163496
Charge
0
InChI
InChI=1S/C15H12Cl2O3/c1-19-14-5-2-10(8-18)6-15(14)20-9-11-3-4-12(16)7-13(11)17/h2-8H,9H2,1H3
InChIKey
PQEBIWPTBHQIQJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OCc1ccc(cc1Cl)Cl)C=O
Isomeric Smiles
c1(c(COc2c(ccc(c2)C=O)OC)ccc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.302968
LogD (pH = 7.4)
4.302968
Log P
4.302968
Molar Refractivity
79.7906
Polarizability
30.625767
Polar Surface Area
35.53
Rotatable Bonds
5
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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