Molecule

ID:21644

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O₂
Molecular Mass
261.31956
Exact Mass
261.14772686
Charge
0
InChI
InChI=1S/C14H19N3O2/c15-17-14(19)11-6-8-12(9-7-11)16-13(18)10-4-2-1-3-5-10/h6-10H,1-5,15H2,(H,16,18)(H,17,19)
InChIKey
GPKOFBHALFQWSF-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)NC(=O)C1CCCCC1
Isomeric Smiles
C(=O)(Nc1ccc(C(=O)NN)cc1)C1CCCCC1
Calculated Properties
JChem
Acid pKa
13.372672
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.8777255
LogD (pH = 7.4)
1.8786112
Log P
1.878623
Molar Refractivity
75.6857
Polarizability
27.949465
Polar Surface Area
84.22
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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