Molecule

ID:41983

General Information
Structure
Molecular Formula
C₁₆H₁₅ClO₃
Molecular Mass
290.7415
Exact Mass
290.07097202
Charge
0
InChI
InChI=1S/C16H15ClO3/c1-11(18)13-6-7-16(15(17)9-13)20-10-12-4-3-5-14(8-12)19-2/h3-9H,10H2,1-2H3
InChIKey
ZLFIQUARIGKWCD-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)COc1ccc(cc1Cl)C(=O)C
Isomeric Smiles
c1(cc(c(OCc2cc(OC)ccc2)cc1)Cl)C(=O)C
Calculated Properties
JChem
Acid pKa
16.142527
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5440686
LogD (pH = 7.4)
3.5440686
Log P
3.5440686
Molar Refractivity
78.8046
Polarizability
30.57526
Polar Surface Area
35.53
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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