Molecule

ID:46352

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄ClNO
Molecular Mass
221.76736
Exact Mass
221.15464207
Charge
0
InChI
InChI=1S/C11H23NO.ClH/c1-2-3-8-13-9-6-11-5-4-7-12-10-11;/h11-12H,2-10H2,1H3;1H
InChIKey
ATOWAUVQCVWESV-UHFFFAOYSA-N
Canonic Smiles
CCCCOCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOCCCC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2369463
LogD (pH = 7.4)
-0.8609035
Log P
1.9973761
Molar Refractivity
56.4615
Polarizability
22.48926
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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