Molecule

ID:60977

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O₂
Molecular Mass
242.702
Exact Mass
242.08220541
Charge
0
InChI
InChI=1S/C11H15ClN2O2/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16)
InChIKey
DBHMCYWQGLNEQR-UHFFFAOYSA-N
Canonic Smiles
OCC(NC(=O)Nc1ccc(cc1)Cl)(C)C
Isomeric Smiles
C(=O)(NC(CO)(C)C)Nc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
13.4712105
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
1.7121811
LogD (pH = 7.4)
1.7121807
Log P
1.7121811
Molar Refractivity
64.6485
Polarizability
24.386168
Polar Surface Area
61.36
Rotatable Bonds
3
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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