Molecule

ID:21005

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClNO
Molecular Mass
219.75148
Exact Mass
219.13899201
Charge
0
InChI
InChI=1S/C11H21NO.ClH/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11;/h10-12H,1-9H2;1H
InChIKey
YTSDWCXUCUBBKN-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)COC1CNCC1.Cl
Isomeric Smiles
C1C(CNC1)OCC1CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4115391
LogD (pH = 7.4)
-1.0306007
Log P
1.8226311
Molar Refractivity
54.0485
Polarizability
21.75466
Polar Surface Area
21.26
Rotatable Bonds
3
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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