Molecule

ID:26082

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅ClO₃
Molecular Mass
290.7415
Exact Mass
290.07097202
Charge
0
InChI
InChI=1S/C16H15ClO3/c1-2-19-16-9-12(10-18)6-7-15(16)20-11-13-4-3-5-14(17)8-13/h3-10H,2,11H2,1H3
InChIKey
JFXPCJXNQRPGSI-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OCc1cccc(c1)Cl
Isomeric Smiles
c1(c(OCc2cc(Cl)ccc2)ccc(c1)C=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.0557313
LogD (pH = 7.4)
4.0557313
Log P
4.0557313
Molar Refractivity
79.7344
Polarizability
30.55454
Polar Surface Area
35.53
Rotatable Bonds
6
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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