Molecule

ID:46308

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(8-12-6-1)5-7-13-9-11-3-4-11;/h10-12H,1-9H2;1H
InChIKey
ZOGQVBJOMVAPCF-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCOCC1CC1.Cl
Isomeric Smiles
C1CC1COCCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7802681
LogD (pH = 7.4)
-1.4042252
Log P
1.4540544
Molar Refractivity
54.5299
Polarizability
21.75466
Polar Surface Area
21.26
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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