Molecule

ID:87869

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₈
Molecular Mass
365.7635
Exact Mass
365.08774429
Charge
0
InChI
InChI=1S/C14H20ClNO8/c1-6(17)16-11-13(23-9(4)20)12(22-8(3)19)10(24-14(11)15)5-21-7(2)18/h10-14H,5H2,1-4H3,(H,16,17)/t10-,11+,12-,13+,14-/m1/s1
InChIKey
NAYYKQAWUWXLPD-XHJNMGKDSA-N
Canonic Smiles
CC(=O)O[C@@H]1[C@@H](COC(=O)C)O[C@H]([C@H]([C@@H]1OC(=O)C)NC(=O)C)Cl
Isomeric Smiles
O1[C@@H]([C@H]([C@H]([C@@H]([C@@H]1Cl)NC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C
Calculated Properties
JChem
Acid pKa
11.573198
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.7034407
LogD (pH = 7.4)
-0.703466
Log P
-0.7034401
Molar Refractivity
78.0168
Polarizability
32.197075
Polar Surface Area
117.23
Rotatable Bonds
8
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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