Molecule

ID:54947

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClN₂O₂
Molecular Mass
222.71236
Exact Mass
222.11350554
Charge
0
InChI
InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11(4)7-5-10-6-7;/h7,10H,5-6H2,1-4H3;1H
InChIKey
VASMJPUWUNCMPT-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)OC(C)(C)C)C1CNC1.Cl
Isomeric Smiles
C(=O)(N(C1CNC1)C)OC(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.467575
LogD (pH = 7.4)
-1.0744399
Log P
0.6141533
Molar Refractivity
50.1141
Polarizability
20.017399
Polar Surface Area
41.57
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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