Molecule

ID:14962

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₄
Molecular Mass
282.33548
Exact Mass
282.15795719
Charge
0
InChI
InChI=1S/C14H22N2O4/c1-14(2)13(20)15-9-5-3-4-6-10(9)16(14)11(17)7-8-12(18)19/h9-10H,3-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKey
NIMOMOXLUIGLOQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)N1C2CCCCC2NC(=O)C1(C)C
Isomeric Smiles
C12N(C(C(=O)NC1CCCC2)(C)C)C(=O)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.4669776
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.689019
LogD (pH = 7.4)
-2.454376
Log P
0.38111743
Molar Refractivity
71.2777
Polarizability
28.077288
Polar Surface Area
86.71
Rotatable Bonds
3
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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