Molecule

ID:62425

General Information
Structure
Molecular Formula
C₁₅H₁₉N₅
Molecular Mass
269.34486
Exact Mass
269.16404563
Charge
0
InChI
InChI=1S/C15H19N5/c1-11-9-13(20-15-17-5-2-6-18-15)10-14(19-11)12-3-7-16-8-4-12/h2,5-6,9-10,12,16H,3-4,7-8H2,1H3,(H,17,18,19,20)
InChIKey
YZLOQRUOVMBQPM-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(n1)C1CCNCC1)Nc1ncccn1
Isomeric Smiles
n1c(cc(Nc2ncccn2)cc1C)C1CCNCC1
Calculated Properties
JChem
Acid pKa
12.747903
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.9646318
LogD (pH = 7.4)
-1.2396297
Log P
1.317093
Molar Refractivity
78.6122
Polarizability
30.059607
Polar Surface Area
62.73
Rotatable Bonds
3
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
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References
Bioactivity
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