Molecule

ID:123790

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H13ClN2O/c1-6(2)13-10(14)8-4-3-7(12)5-9(8)11/h3-6H,12H2,1-2H3,(H,13,14)
InChIKey
PQLLYWSYNFDCJO-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)c1ccc(cc1Cl)N)C
Isomeric Smiles
c1(C(=O)NC(C)C)c(cc(cc1)N)Cl
Calculated Properties
JChem
Acid pKa
14.476103
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5952486
LogD (pH = 7.4)
1.5960536
Log P
1.5960639
Molar Refractivity
58.7057
Polarizability
21.725594
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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