Molecule

ID:45723

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO₃
Molecular Mass
235.70782
Exact Mass
235.09752112
Charge
0
InChI
InChI=1S/C10H17NO3.ClH/c12-10(8-2-5-13-6-3-8)14-9-1-4-11-7-9;/h8-9,11H,1-7H2;1H
InChIKey
CYYDWMHOBUBYHL-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCOCC1)OC1CNCC1.Cl
Isomeric Smiles
C(=O)(OC1CCNC1)C1CCOCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.296068
LogD (pH = 7.4)
-2.664438
Log P
-0.072647415
Molar Refractivity
51.4545
Polarizability
20.703386
Polar Surface Area
47.56
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
No Data Available
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Molecule Details
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References
Bioactivity
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