Molecule

ID:60804

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₅
Molecular Mass
245.32346
Exact Mass
245.16404563
Charge
0
InChI
InChI=1S/C13H19N5/c1-8-7-9(2)15-12(14-8)18-13-16-10-5-3-4-6-11(10)17-13/h7,10-11H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKey
KIPAFZNQLYQZBG-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(/N=C/2\NC3C(N2)CCCC3)nc(c1)C
Isomeric Smiles
C\1(=N\c2nc(cc(n2)C)C)/NC2C(N1)CCCC2
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.13978185
LogD (pH = 7.4)
0.38575017
Log P
1.2617701
Molar Refractivity
71.5893
Polarizability
26.493502
Polar Surface Area
62.2
Rotatable Bonds
1
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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