Molecule

ID:60114

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClO₃
Molecular Mass
276.71492
Exact Mass
276.05532196
Charge
0
InChI
InChI=1S/C15H13ClO3/c1-18-15(17)11-6-8-13(9-7-11)19-10-12-4-2-3-5-14(12)16/h2-9H,10H2,1H3
InChIKey
MNRSVFXJNTUKMK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCc1ccccc1Cl
Isomeric Smiles
c1ccc(c(c1)Cl)COc1ccc(cc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.147569
LogD (pH = 7.4)
4.147569
Log P
4.147569
Molar Refractivity
73.9639
Polarizability
28.727348
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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