Molecule

ID:47117

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO
Molecular Mass
193.7142
Exact Mass
193.12334195
Charge
0
InChI
InChI=1S/C9H19NO.ClH/c1-2-3-4-7-11-9-5-6-10-8-9;/h9-10H,2-8H2,1H3;1H
InChIKey
GAFRGWAMIHPPMP-UHFFFAOYSA-N
Canonic Smiles
CCCCCOC1CNCC1.Cl
Isomeric Smiles
N1CCC(OCCCCC)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7573549
LogD (pH = 7.4)
-1.3764223
Log P
1.4768156
Molar Refractivity
46.7781
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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