Molecule

ID:48818

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClN₂O₂
Molecular Mass
222.71236
Exact Mass
222.11350554
Charge
0
InChI
InChI=1S/C9H18N2O2.ClH/c1-7(2)8(10)9(12)11-3-5-13-6-4-11;/h7-8H,3-6,10H2,1-2H3;1H
InChIKey
DGJTWBDMXQXJKD-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N1CCOCC1)C(C)C.Cl
Isomeric Smiles
C(=O)(N1CCOCC1)C(N)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.988585
LogD (pH = 7.4)
-1.4039061
Log P
-0.26930702
Molar Refractivity
50.183
Polarizability
20.017399
Polar Surface Area
55.56
Rotatable Bonds
2
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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