Molecule

ID:56888

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₂O₃
Molecular Mass
311.15998
Exact Mass
310.0163496
Charge
0
InChI
InChI=1S/C15H12Cl2O3/c1-19-14-8-11(15(17)18)4-7-13(14)20-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3
InChIKey
VISOOQSAXJNSRP-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OCc1ccc(cc1)Cl)C(=O)Cl
Isomeric Smiles
c1cc(cc(c1OCc1ccc(cc1)Cl)OC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.177334
LogD (pH = 7.4)
4.177334
Log P
4.177334
Molar Refractivity
79.5165
Polarizability
30.60142
Polar Surface Area
35.53
Rotatable Bonds
5
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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