Molecule

ID:119232

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₃O₅
Molecular Mass
269.2539
Exact Mass
269.1011706
Charge
0
InChI
InChI=1S/C11H15N3O5/c15-8(16)4-2-1-3-5-12-6-7-9(17)13-11(19)14-10(7)18/h6,12H,1-5H2,(H,15,16)(H2,13,14,17,18,19)
InChIKey
LEYSTMOMBRHMGU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCNC=C1C(=O)NC(=O)NC1=O
Isomeric Smiles
C1(=CNCCCCCC(=O)O)C(=O)NC(=O)NC1=O
Calculated Properties
JChem
Acid pKa
4.7057323
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-1.5826223
LogD (pH = 7.4)
-3.500667
Log P
-0.72195387
Molar Refractivity
63.5035
Polarizability
24.384623
Polar Surface Area
124.6
Rotatable Bonds
7
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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