Molecule

ID:122690

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₅
Molecular Mass
242.22856
Exact Mass
242.09027156
Charge
0
InChI
InChI=1S/C10H14N2O5/c1-6-7(2)12(17)5-11(6)8(10(15)16)3-4-9(13)14/h5,8H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKey
PZJYMLLADNBEON-QMMMGPOBSA-N
Canonic Smiles
[O-][n+]1cn(c(c1C)C)[C@H](C(=O)O)CCC(=O)O
Isomeric Smiles
[n+]1(cn(c(c1C)C)[C@H](C(=O)O)CCC(=O)O)[O-]
Calculated Properties
JChem
Acid pKa
3.3129272
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.2646756
LogD (pH = 7.4)
-6.2318277
Log P
0.3412284
Molar Refractivity
57.9921
Polarizability
21.60734
Polar Surface Area
104.99
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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