Molecule

ID:48533

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O₂
Molecular Mass
226.65954
Exact Mass
226.05090528
Charge
0
InChI
InChI=1S/C10H11ClN2O2/c11-9-8(2-1-3-12-9)10(14)13-4-6-15-7-5-13/h1-3H,4-7H2
InChIKey
SPSWDQBZCCVHNI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1Cl)N1CCOCC1
Isomeric Smiles
C(=O)(c1c(nccc1)Cl)N1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.65928596
LogD (pH = 7.4)
0.6592872
Log P
0.6592872
Molar Refractivity
57.7135
Polarizability
21.618538
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
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References
Bioactivity
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