Molecule

ID:47428

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClNO
Molecular Mass
219.75148
Exact Mass
219.13899201
Charge
0
InChI
InChI=1S/C11H21NO.ClH/c1-2-10(3-1)8-13-9-11-4-6-12-7-5-11;/h10-12H,1-9H2;1H
InChIKey
WTJJDGSLAFDNBU-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COCC1CCC1.Cl
Isomeric Smiles
N1CCC(COCC2CCC2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7773672
LogD (pH = 7.4)
-1.3166126
Log P
1.4540544
Molar Refractivity
54.5299
Polarizability
21.75466
Polar Surface Area
21.26
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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