Molecule

ID:26136

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClO₄
Molecular Mass
290.69844
Exact Mass
290.03458651
Charge
0
InChI
InChI=1S/C15H11ClO4/c1-19-14-8-10(9-17)2-7-13(14)20-15(18)11-3-5-12(16)6-4-11/h2-9H,1H3
InChIKey
TUSSATZPNQQXSX-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OC(=O)c1ccc(cc1)Cl
Isomeric Smiles
C(=O)(Oc1c(cc(C=O)cc1)OC)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.793557
LogD (pH = 7.4)
3.793557
Log P
3.793557
Molar Refractivity
75.7129
Polarizability
28.797762
Polar Surface Area
52.6
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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