Molecule

ID:47429

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO
Molecular Mass
191.69832
Exact Mass
191.10769188
Charge
0
InChI
InChI=1S/C9H17NO.ClH/c1-2-8(3-1)7-11-9-4-5-10-6-9;/h8-10H,1-7H2;1H
InChIKey
UUALCBGTONVMMQ-UHFFFAOYSA-N
Canonic Smiles
C1CC(C1)COC1CCNC1.Cl
Isomeric Smiles
N1CCC(OCC2CCC2)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3006763
LogD (pH = 7.4)
-1.919738
Log P
0.93349385
Molar Refractivity
44.8465
Polarizability
18.067194
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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