Molecule

ID:123773

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₂O₂
Molecular Mass
214.64884
Exact Mass
214.05090528
Charge
0
InChI
InChI=1S/C9H11ClN2O2/c10-7-2-1-6(5-8(7)11)9(14)12-3-4-13/h1-2,5,13H,3-4,11H2,(H,12,14)
InChIKey
DPMZPUIFRULOKH-UHFFFAOYSA-N
Canonic Smiles
OCCNC(=O)c1ccc(c(c1)N)Cl
Isomeric Smiles
C(=O)(c1cc(c(cc1)Cl)N)NCCO
Calculated Properties
JChem
Acid pKa
14.7861
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.13249806
LogD (pH = 7.4)
0.13257785
Log P
0.13257888
Molar Refractivity
55.8306
Polarizability
20.547476
Polar Surface Area
75.35
Rotatable Bonds
3
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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