Molecule

ID:25880

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClO₃
Molecular Mass
276.71492
Exact Mass
276.05532196
Charge
0
InChI
InChI=1S/C15H13ClO3/c1-18-14-7-6-11(9-17)8-12(14)10-19-15-5-3-2-4-13(15)16/h2-9H,10H2,1H3
InChIKey
NXOBYCAKTJTHNU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)COc1ccccc1Cl)OC
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)COc1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6989233
LogD (pH = 7.4)
3.6989233
Log P
3.6989233
Molar Refractivity
74.9858
Polarizability
28.735126
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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