Molecule

ID:74288

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₅
Molecular Mass
321.36822
Exact Mass
321.15762284
Charge
0
InChI
InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-10-8-14(9-11-18)22-13-6-4-12(5-7-13)15(19)20/h4-7,14H,8-11H2,1-3H3,(H,19,20)
InChIKey
LUVXDMFUUZGFST-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)O)OC(C)(C)C
Isomeric Smiles
N1(CCC(Oc2ccc(cc2)C(=O)O)CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.358156
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2297899
LogD (pH = 7.4)
-0.5197926
Log P
2.4001088
Molar Refractivity
84.9289
Polarizability
32.961575
Polar Surface Area
76.07
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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