Molecule

ID:45724

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClNO₅
Molecular Mass
293.7439
Exact Mass
293.10300043
Charge
0
InChI
InChI=1S/C12H19NO5.ClH/c1-16-12(15)10-6-9(7-13-10)18-11(14)8-2-4-17-5-3-8;/h8-10,13H,2-7H2,1H3;1H/t9-,10-;/m0./s1
InChIKey
XTONLIBWHLBVMB-IYPAPVHQSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)OC(=O)C1CCOCC1.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)OC(=O)C1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1100891
LogD (pH = 7.4)
-0.2709374
Log P
-0.23681377
Molar Refractivity
62.0535
Polarizability
25.222927
Polar Surface Area
73.86
Rotatable Bonds
5
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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