Molecule

ID:37773

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₅
Molecular Mass
336.38286
Exact Mass
336.16852188
Charge
0
InChI
InChI=1S/C17H24N2O5/c1-9(2)24-17(23)13-10(3)14(18-11(13)4)15(20)19-7-5-12(6-8-19)16(21)22/h9,12,18H,5-8H2,1-4H3,(H,21,22)
InChIKey
OBOAYGPJIMOIBN-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)c1c(C)[nH]c(c1C)C(=O)N1CCC(CC1)C(=O)O)C
Isomeric Smiles
[nH]1c(c(c(c1C)C(=O)OC(C)C)C)C(=O)N1CCC(CC1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9685473
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.29431933
LogD (pH = 7.4)
-1.342864
Log P
1.8340768
Molar Refractivity
89.3316
Polarizability
33.44033
Polar Surface Area
99.7
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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