Molecule

ID:21716

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O₆
Molecular Mass
354.39814
Exact Mass
354.17908656
Charge
0
InChI
InChI=1S/C17H26N2O6/c20-14(7-4-8-15(21)22)19-10-9-18-17(24)13(19)11-16(23)25-12-5-2-1-3-6-12/h12-13H,1-11H2,(H,18,24)(H,21,22)
InChIKey
MEMBHURUESYFTM-UHFFFAOYSA-N
Canonic Smiles
O=C(CC1C(=O)NCCN1C(=O)CCCC(=O)O)OC1CCCCC1
Isomeric Smiles
N1(C(C(=O)NCC1)CC(=O)OC1CCCCC1)C(=O)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.000939
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.2267826
LogD (pH = 7.4)
-2.876731
Log P
0.28180397
Molar Refractivity
86.9007
Polarizability
34.432743
Polar Surface Area
113.01
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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