Molecule

ID:72883

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₃O₃
Molecular Mass
265.30826
Exact Mass
265.14264148
Charge
0
InChI
InChI=1S/C13H19N3O3/c17-12(15-11-6-5-9-14-10-11)7-3-1-2-4-8-13(18)16-19/h5-6,9-10,19H,1-4,7-8H2,(H,15,17)(H,16,18)
InChIKey
PTJGLFIIZFVFJV-UHFFFAOYSA-N
Canonic Smiles
ONC(=O)CCCCCCC(=O)Nc1cccnc1
Isomeric Smiles
c1cncc(c1)NC(=O)CCCCCCC(=O)NO
Calculated Properties
JChem
Acid pKa
8.907484
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.7575042
LogD (pH = 7.4)
0.772691
Log P
0.78629684
Molar Refractivity
71.6482
Polarizability
27.225363
Polar Surface Area
91.32
Rotatable Bonds
8
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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