Molecule

ID:33504

General Information
Structure
Molecular Formula
C₁₀H₁₁ClN₂O₂
Molecular Mass
226.65954
Exact Mass
226.05090528
Charge
0
InChI
InChI=1S/C10H11ClN2O2/c11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13/h1-2,7H,3-6H2
InChIKey
FCXXBTYIFBFZML-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)C(=O)N1CCOCC1
Isomeric Smiles
C(=O)(c1cnc(cc1)Cl)N1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6592866
LogD (pH = 7.4)
0.6592872
Log P
0.6592872
Molar Refractivity
57.7135
Polarizability
21.605652
Polar Surface Area
42.43
Rotatable Bonds
1
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
References
Bioactivity
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