Molecule

ID:45715

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀ClNO₃
Molecular Mass
249.7344
Exact Mass
249.11317119
Charge
0
InChI
InChI=1S/C11H19NO3.ClH/c13-11(9-3-7-14-8-4-9)15-10-1-5-12-6-2-10;/h9-10,12H,1-8H2;1H
InChIKey
VUHXCIGDRVRFQV-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCOCC1)OC1CCNCC1.Cl
Isomeric Smiles
C(=O)(OC1CCNCC1)C1CCOCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2325366
LogD (pH = 7.4)
-2.5428255
Log P
-0.012687675
Molar Refractivity
56.3199
Polarizability
22.53687
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
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Molecule Details
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References
Bioactivity
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