Molecule

ID:113206

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₃O₃
Molecular Mass
265.30826
Exact Mass
265.14264148
Charge
0
InChI
InChI=1S/C13H19N3O3/c1-2-3-8-19-11-6-4-10(5-7-11)13(18)15-9-12(17)16-14/h4-7H,2-3,8-9,14H2,1H3,(H,15,18)(H,16,17)
InChIKey
SWPYRTBUMQACSB-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)C(=O)NCC(=O)NN
Isomeric Smiles
C(=O)(NCC(=O)NN)c1ccc(cc1)OCCCC
Calculated Properties
JChem
Acid pKa
11.826253
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.5874052
LogD (pH = 7.4)
0.5883283
Log P
0.58835495
Molar Refractivity
72.7608
Polarizability
27.54603
Polar Surface Area
93.45
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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