Molecule

ID:108143

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₆O
Molecular Mass
286.33232
Exact Mass
286.15420923
Charge
0
InChI
InChI=1S/C14H18N6O/c1-2-3-8-21-13-7-4-10(9-17-13)19-20-11-5-6-12(15)18-14(11)16/h4-7,9H,2-3,8H2,1H3,(H4,15,16,18)
InChIKey
WAWDOEHEAULMGC-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cn1)/N=N/c1ccc(nc1N)N
Isomeric Smiles
CCCCOc1ncc(cc1)/N=N/c1c(N)nc(N)cc1
Calculated Properties
JChem
Acid pKa
18.844923
H Acceptors
7
H Donor
2
LogD (pH = 5.5)
1.9499437
LogD (pH = 7.4)
3.127489
Log P
3.235543
Molar Refractivity
86.7413
Polarizability
30.109344
Polar Surface Area
111.77
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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