Molecule

ID:14434

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₅
Molecular Mass
296.319
Exact Mass
296.13722175
Charge
0
InChI
InChI=1S/C14H20N2O5/c1-8-9(5-10(21-8)14(2,3)4)13(20)16-6-11(17)15-7-12(18)19/h5H,6-7H2,1-4H3,(H,15,17)(H,16,20)(H,18,19)
InChIKey
HUZDCZIRBTZJNL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(oc1C)C(C)(C)C)NCC(=O)NCC(=O)O
Isomeric Smiles
c1c(c(oc1C(C)(C)C)C)C(=O)NCC(=O)NCC(=O)O
Calculated Properties
JChem
Acid pKa
3.46184
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.8032064
LogD (pH = 7.4)
-3.1613088
Log P
0.22512648
Molar Refractivity
75.1277
Polarizability
28.319988
Polar Surface Area
108.64
Rotatable Bonds
6
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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