Molecule

ID:37774

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₂O₅
Molecular Mass
350.40944
Exact Mass
350.18417194
Charge
0
InChI
InChI=1S/C18H26N2O5/c1-4-25-18(24)16-11(2)14(12(3)19-16)5-6-15(21)20-9-7-13(8-10-20)17(22)23/h13,19H,4-10H2,1-3H3,(H,22,23)
InChIKey
SHRUXHHMCQWNQW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c(c(c1C)CCC(=O)N1CCC(CC1)C(=O)O)C
Isomeric Smiles
[nH]1c(c(c(c1C(=O)OCC)C)CCC(=O)N1CCC(CC1)C(=O)O)C
Calculated Properties
JChem
Acid pKa
4.20717
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.5303188
LogD (pH = 7.4)
-1.1863396
Log P
1.8422358
Molar Refractivity
93.5652
Polarizability
35.469692
Polar Surface Area
99.7
Rotatable Bonds
7
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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