Molecule

ID:55870

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO₂
Molecular Mass
207.69772
Exact Mass
207.1026065
Charge
0
InChI
InChI=1S/C9H17NO2.ClH/c11-8-1-6-12-9(7-8)2-4-10-5-3-9;/h8,10-11H,1-7H2;1H
InChIKey
LBBHQKGKDNOTSF-UHFFFAOYSA-N
Canonic Smiles
OC1CCOC2(C1)CCNCC2.Cl
Isomeric Smiles
N1CCC2(OCCC(C2)O)CC1.Cl
Calculated Properties
JChem
Acid pKa
15.093126
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.2091165
LogD (pH = 7.4)
-3.5104675
Log P
-0.98986405
Molar Refractivity
46.7828
Polarizability
18.692753
Polar Surface Area
41.49
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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