Molecule

ID:48784

General Information
Structure
Molecular Formula
C₁₀H₂₁ClN₂O₂
Molecular Mass
236.73894
Exact Mass
236.1291556
Charge
0
InChI
InChI=1S/C10H20N2O2.ClH/c1-11-7-10(13)12(2)8-9-3-5-14-6-4-9;/h9,11H,3-8H2,1-2H3;1H
InChIKey
ASUHWONYFZTXGB-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)N(CC1CCOCC1)C.Cl
Isomeric Smiles
C(=O)(N(CC1CCOCC1)C)CNC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.6288042
LogD (pH = 7.4)
-2.0775554
Log P
-0.6526988
Molar Refractivity
55.6871
Polarizability
21.854008
Polar Surface Area
41.57
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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