Molecule

ID:45813

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClNO₂
Molecular Mass
205.68184
Exact Mass
205.08695644
Charge
0
InChI
InChI=1S/C9H15NO2.ClH/c11-9(7-3-4-7)12-8-2-1-5-10-6-8;/h7-8,10H,1-6H2;1H
InChIKey
DKNMNFLZCSQBDL-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1)OC1CCCNC1.Cl
Isomeric Smiles
C(=O)(C1CC1)OC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3235335
LogD (pH = 7.4)
-1.0448784
Log P
0.80350566
Molar Refractivity
44.7476
Polarizability
18.148947
Polar Surface Area
38.33
Rotatable Bonds
3
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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