Molecule

ID:61566

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₂O₂
Molecular Mass
214.64884
Exact Mass
214.05090528
Charge
0
InChI
InChI=1S/C9H11ClN2O2/c1-5(13)12-8-3-6(10)9(14-2)4-7(8)11/h3-4H,11H2,1-2H3,(H,12,13)
InChIKey
IGMIRDGDTCDZST-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)c(cc1Cl)NC(=O)C
Isomeric Smiles
c1(cc(c(cc1N)OC)Cl)NC(=O)C
Calculated Properties
JChem
Acid pKa
14.292168
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.82814264
LogD (pH = 7.4)
0.8284003
Log P
0.82840365
Molar Refractivity
56.8894
Polarizability
20.799511
Polar Surface Area
64.35
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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