Molecule

ID:69002

General Information
Structure
Molecular Formula
C₁₄H₂₃NO₅
Molecular Mass
285.33612
Exact Mass
285.15762284
Charge
0
InChI
InChI=1S/C14H23NO5/c1-13(2,3)19-11(17)9-7-8-10(16)15(9)12(18)20-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKey
INVKHBRFFCQICU-VIFPVBQESA-N
Canonic Smiles
O=C([C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)OC(C)(C)C
Isomeric Smiles
N1(C(=O)CC[C@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.972043
LogD (pH = 7.4)
1.972043
Log P
1.972043
Molar Refractivity
71.6576
Polarizability
28.608917
Polar Surface Area
72.91
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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