Molecule

ID:52607

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClNO₄
Molecular Mass
263.71792
Exact Mass
263.09243574
Charge
0
InChI
InChI=1S/C11H18ClNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKey
XNKQYQOTERJNHJ-YUMQZZPRSA-N
Canonic Smiles
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)Cl
Isomeric Smiles
C1[C@@H](CN([C@@H]1C(=O)OC)C(=O)OC(C)(C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5388399
LogD (pH = 7.4)
1.5388399
Log P
1.5388399
Molar Refractivity
62.1974
Polarizability
24.893618
Polar Surface Area
55.84
Rotatable Bonds
4
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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