Molecule

ID:56902

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅ClO₃
Molecular Mass
290.7415
Exact Mass
290.07097202
Charge
0
InChI
InChI=1S/C16H15ClO3/c1-11-3-5-12(6-4-11)10-20-14-8-7-13(16(17)18)9-15(14)19-2/h3-9H,10H2,1-2H3
InChIKey
KEKDUQFRHCZZJV-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OCc1ccc(cc1)C)C(=O)Cl
Isomeric Smiles
c1cc(cc(c1OCc1ccc(cc1)C)OC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.0867105
LogD (pH = 7.4)
4.0867105
Log P
4.0867105
Molar Refractivity
79.7529
Polarizability
30.464697
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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