Molecule

ID:48812

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁ClN₂O₂
Molecular Mass
236.73894
Exact Mass
236.1291556
Charge
0
InChI
InChI=1S/C10H20N2O2.ClH/c1-12(10(13)2-5-11)8-9-3-6-14-7-4-9;/h9H,2-8,11H2,1H3;1H
InChIKey
XCWDPLJHQITTDO-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N(CC1CCOCC1)C.Cl
Isomeric Smiles
C(=O)(N(CC1CCOCC1)C)CCN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7823193
LogD (pH = 7.4)
-2.5595858
Log P
-0.8482665
Molar Refractivity
55.6119
Polarizability
21.854008
Polar Surface Area
55.56
Rotatable Bonds
4
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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