Molecule

ID:56853

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClO₃
Molecular Mass
276.71492
Exact Mass
276.05532196
Charge
0
InChI
InChI=1S/C15H13ClO3/c1-18-13-9-5-8-12(15(16)17)14(13)19-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKey
CRXDUPQUSSFOPT-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCc1ccccc1)C(=O)Cl
Isomeric Smiles
c1cc(c(c(c1)OC)OCc1ccccc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.573289
LogD (pH = 7.4)
3.573289
Log P
3.573289
Molar Refractivity
74.7117
Polarizability
28.706152
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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