Molecule

ID:53952

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂O₃
Molecular Mass
254.66964
Exact Mass
254.0458199
Charge
0
InChI
InChI=1S/C11H11ClN2O3/c1-15-8-4-3-7(5-9(8)16-2)11-13-10(6-12)17-14-11/h3-5H,6H2,1-2H3
InChIKey
PROALHWGUKNCJY-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)c1noc(n1)CCl
Isomeric Smiles
c1(c2cc(c(cc2)OC)OC)noc(n1)CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5419915
LogD (pH = 7.4)
2.5419915
Log P
2.5419915
Molar Refractivity
74.2055
Polarizability
24.48031
Polar Surface Area
57.38
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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