Molecule

ID:50037

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₂O₂
Molecular Mass
244.71788
Exact Mass
244.09785547
Charge
0
InChI
InChI=1S/C11H16N2O2.ClH/c1-11(2,12)10(14)13-8-4-6-9(15-3)7-5-8;/h4-7H,12H2,1-3H3,(H,13,14);1H
InChIKey
KKFKECDTEWQLQO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(=O)C(N)(C)C.Cl
Isomeric Smiles
C(=O)(Nc1ccc(cc1)OC)C(N)(C)C.Cl
Calculated Properties
JChem
Acid pKa
13.726074
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.5753584
LogD (pH = 7.4)
0.019286426
Log P
1.1306852
Molar Refractivity
59.9511
Polarizability
22.932299
Polar Surface Area
64.35
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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