Molecule
ID:123203
General Information
Molecular Formula
C₁₀H₁₁ClN₂O₂
Molecular Mass
226.65954
Exact Mass
226.05090528
Charge
0
InChI
InChI=1S/C10H11ClN2O2/c11-8-5-7(10(14)15)6-12-9(8)13-3-1-2-4-13/h5-6H,1-4H2,(H,14,15)
InChIKey
HDCDDGUJIBDWJF-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cnc1N1CCCC1)C(=O)O
Isomeric Smiles
c1(ncc(C(=O)O)cc1Cl)N1CCCC1
Calculated Properties
JChem
Acid pKa
1.8874063
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.4151321
LogD (pH = 7.4)
-1.1142923
Log P
1.2315569
Molar Refractivity
58.2452
Polarizability
21.50731
Polar Surface Area
53.43
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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