Molecule

ID:45801

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO₂
Molecular Mass
221.7243
Exact Mass
221.11825657
Charge
0
InChI
InChI=1S/C10H19NO2.ClH/c1-8(2)5-10(12)13-7-9-3-4-11-6-9;/h8-9,11H,3-7H2,1-2H3;1H
InChIKey
XMKBPUJALBPGHV-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)OCC1CNCC1)C.Cl
Isomeric Smiles
C(=O)(OCC1CNCC1)CC(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1844559
LogD (pH = 7.4)
-2.0776556
Log P
1.056019
Molar Refractivity
51.4639
Polarizability
20.710838
Polar Surface Area
38.33
Rotatable Bonds
5
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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