Molecule

ID:45863

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClNO₄
Molecular Mass
277.7445
Exact Mass
277.10808581
Charge
0
InChI
InChI=1S/C12H19NO4.ClH/c1-16-12(15)10-6-9(7-13-10)17-11(14)8-4-2-3-5-8;/h8-10,13H,2-7H2,1H3;1H/t9-,10-;/m0./s1
InChIKey
KGVLFDIKLCZCLR-IYPAPVHQSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)OC(=O)C1CCCC1.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)OC(=O)C1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.13783874
LogD (pH = 7.4)
0.97699034
Log P
1.011114
Molar Refractivity
59.904
Polarizability
24.484545
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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