Molecule

ID:47112

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO
Molecular Mass
191.69832
Exact Mass
191.10769188
Charge
0
InChI
InChI=1S/C9H17NO.ClH/c1-2-3-4-7-11-9-5-6-10-8-9;/h2,9-10H,1,3-8H2;1H
InChIKey
CUXSUGPFGRLBHQ-UHFFFAOYSA-N
Canonic Smiles
C=CCCCOC1CNCC1.Cl
Isomeric Smiles
N1CCC(OCCCC=C)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0613427
LogD (pH = 7.4)
-1.6804103
Log P
1.1728276
Molar Refractivity
46.8222
Polarizability
18.561886
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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