Molecule

ID:77174

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₂
Molecular Mass
240.68612
Exact Mass
240.06655535
Charge
0
InChI
InChI=1S/C11H13ClN2O2/c1-3-16-11(15)10(12)14-13-9-6-4-8(2)5-7-9/h4-7,13H,3H2,1-2H3
InChIKey
IZJHYJDZIJLTOD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C(=N/Nc1ccc(cc1)C)/Cl
Isomeric Smiles
N(c1ccc(cc1)C)/N=C(\Cl)/C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.902768
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.6338975
LogD (pH = 7.4)
3.6337655
Log P
3.6338995
Molar Refractivity
64.5937
Polarizability
23.973131
Polar Surface Area
50.69
Rotatable Bonds
5
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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