Molecule

ID:48963

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉ClN₂O₂
Molecular Mass
234.72306
Exact Mass
234.11350554
Charge
0
InChI
InChI=1S/C10H18N2O2.ClH/c13-10(9-2-1-3-11-8-9)12-4-6-14-7-5-12;/h9,11H,1-8H2;1H
InChIKey
KZAUFPFMFDLANY-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCOCC1)C1CCCNC1.Cl
Isomeric Smiles
C(=O)(N1CCOCC1)C1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7279472
LogD (pH = 7.4)
-2.7095149
Log P
-0.5419513
Molar Refractivity
53.6114
Polarizability
21.132917
Polar Surface Area
41.57
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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