Molecule

ID:47111

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClNO
Molecular Mass
219.75148
Exact Mass
219.13899201
Charge
0
InChI
InChI=1S/C11H21NO.ClH/c1-2-3-4-9-13-10-11-5-7-12-8-6-11;/h2,11-12H,1,3-10H2;1H
InChIKey
WYVLNQIJEOMOIS-UHFFFAOYSA-N
Canonic Smiles
C=CCCCOCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(COCCCC=C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5380334
LogD (pH = 7.4)
-1.0772789
Log P
1.6933881
Molar Refractivity
56.5056
Polarizability
22.25255
Polar Surface Area
21.26
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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