Molecule

ID:103865

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₄O₅
Molecular Mass
286.28442
Exact Mass
286.1277197
Charge
0
InChI
InChI=1S/C11H18N4O5/c12-4-9(17)15-3-1-2-7(15)11(20)14-5-8(16)13-6-10(18)19/h7H,1-6,12H2,(H,13,16)(H,14,20)(H,18,19)
InChIKey
PEZMQPADLFXCJJ-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)N1CCCC1C(=O)NCC(=O)NCC(=O)O
Isomeric Smiles
NCC(=O)N1CCCC1C(=O)NCC(=O)NCC(=O)O
Calculated Properties
JChem
Acid pKa
3.1988602
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.8863416
LogD (pH = 7.4)
-6.0109015
Log P
-5.889213
Molar Refractivity
66.5969
Polarizability
26.163261
Polar Surface Area
141.83
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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