Molecule

ID:45821

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClNO₂
Molecular Mass
205.68184
Exact Mass
205.08695644
Charge
0
InChI
InChI=1S/C9H15NO2.ClH/c11-9(8-1-2-8)12-6-7-3-4-10-5-7;/h7-8,10H,1-6H2;1H
InChIKey
VDFYKXIWUIONDC-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1)OCC1CNCC1.Cl
Isomeric Smiles
C1(C(=O)OCC2CNCC2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8367832
LogD (pH = 7.4)
-2.7299829
Log P
0.40369156
Molar Refractivity
45.0866
Polarizability
18.148947
Polar Surface Area
38.33
Rotatable Bonds
4
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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