Molecule

ID:47147

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO₂
Molecular Mass
221.7243
Exact Mass
221.11825657
Charge
0
InChI
InChI=1S/C10H19NO2.ClH/c1-2-6-12-7-8-13-10-4-3-5-11-9-10;/h2,10-11H,1,3-9H2;1H
InChIKey
AAXBQRYMECYGFX-UHFFFAOYSA-N
Canonic Smiles
C=CCOCCOC1CCCNC1.Cl
Isomeric Smiles
N1CC(OCCOCC=C)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2804494
LogD (pH = 7.4)
-1.2921422
Log P
0.9099849
Molar Refractivity
53.1543
Polarizability
21.08744
Polar Surface Area
30.49
Rotatable Bonds
6
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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