Molecule

ID:53047

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₁NO₅
Molecular Mass
329.43174
Exact Mass
329.2202231
Charge
0
InChI
InChI=1S/C17H31NO5/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21/h14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t14-/m0/s1
InChIKey
AVBJHQDHVYGQLS-AWEZNQCLSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)N[C@H](C(=O)O)CCC(=O)O
Isomeric Smiles
C(=O)([C@@H](NC(=O)CCCCCCCCCCC)CCC(=O)O)O
Calculated Properties
JChem
Acid pKa
3.6222758
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.5736107
LogD (pH = 7.4)
-2.6837363
Log P
3.5886383
Molar Refractivity
86.7674
Polarizability
34.325493
Polar Surface Area
103.7
Rotatable Bonds
15
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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