Molecule

ID:45823

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO₄
Molecular Mass
249.69134
Exact Mass
249.07678568
Charge
0
InChI
InChI=1S/C10H15NO4.ClH/c1-14-10(13)8-4-7(5-11-8)15-9(12)6-2-3-6;/h6-8,11H,2-5H2,1H3;1H/t7-,8-;/m0./s1
InChIKey
NUNYZTJSNNHPKJ-WSZWBAFRSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)OC(=O)C1CC1.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)OC(=O)C1CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7512986
LogD (pH = 7.4)
0.087853014
Log P
0.121976666
Molar Refractivity
50.702
Polarizability
20.829937
Polar Surface Area
64.63
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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