Molecule

ID:80666

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O₂
Molecular Mass
226.65954
Exact Mass
226.05090528
Charge
0
InChI
InChI=1S/C10H11ClN2O2/c11-10(14)8-1-2-9(12-7-8)13-3-5-15-6-4-13/h1-2,7H,3-6H2
InChIKey
CUYODHVYKUWKCO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(nc1)N1CCOCC1
Isomeric Smiles
n1c(ccc(c1)C(=O)Cl)N1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.371792
LogD (pH = 7.4)
1.4296926
Log P
1.4304869
Molar Refractivity
58.8324
Polarizability
21.716587
Polar Surface Area
42.43
Rotatable Bonds
2
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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