Molecule

ID:46354

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO
Molecular Mass
193.7142
Exact Mass
193.12334195
Charge
0
InChI
InChI=1S/C9H19NO.ClH/c1-2-3-6-11-8-9-4-5-10-7-9;/h9-10H,2-8H2,1H3;1H
InChIKey
NQEOOJXGQAPFMU-UHFFFAOYSA-N
Canonic Smiles
CCCCOCC1CNCC1.Cl
Isomeric Smiles
N1CC(COCCCC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0906825
LogD (pH = 7.4)
-1.9840729
Log P
1.1497954
Molar Refractivity
47.1607
Polarizability
18.799707
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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