Molecule
ID:124144
General Information
Molecular Formula
C₉H₁₁ClN₂O₂
Molecular Mass
214.64884
Exact Mass
214.05090528
Charge
0
InChI
InChI=1S/C9H11ClN2O2/c10-8-2-1-6(11)5-7(8)9(14)12-3-4-13/h1-2,5,13H,3-4,11H2,(H,12,14)
InChIKey
LBSBJAODAFVTAF-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(C(=O)NCCO)c(cc1)Cl
Isomeric Smiles
c1(C(=O)NCCO)c(ccc(c1)N)Cl
Calculated Properties
JChem
Acid pKa
13.675057
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.1319884
LogD (pH = 7.4)
0.13257125
Log P
0.13257888
Molar Refractivity
55.8306
Polarizability
20.547071
Polar Surface Area
75.35
Rotatable Bonds
3
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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