Molecule

ID:116855

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂O₂
Molecular Mass
238.67024
Exact Mass
238.05090528
Charge
0
InChI
InChI=1S/C11H11ClN2O2/c1-14-6-9(15)13-10(11(14)16)7-2-4-8(12)5-3-7/h2-5,10H,6H2,1H3,(H,13,15)
InChIKey
SQYCDHGPHLHUOG-UHFFFAOYSA-N
Canonic Smiles
CN1CC(=O)NC(C1=O)c1ccc(cc1)Cl
Isomeric Smiles
C1(=O)N(CC(=O)NC1c1ccc(cc1)Cl)C
Calculated Properties
JChem
Acid pKa
9.883102
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.55356777
LogD (pH = 7.4)
0.55232096
Log P
0.5535837
Molar Refractivity
59.6664
Polarizability
23.141136
Polar Surface Area
49.41
Rotatable Bonds
1
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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