Molecule

ID:114560

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄
Molecular Mass
192.26084
Exact Mass
192.13749653
Charge
0
InChI
InChI=1S/C10H16N4/c1-8-7-9(11)13-10(12-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H2,11,12,13)
InChIKey
CGQSWCVGNGYIRL-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N)nc(n1)N1CCCCC1
Isomeric Smiles
c1(nc(cc(n1)C)N)N1CCCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.22379807
LogD (pH = 7.4)
0.9905696
Log P
1.5838332
Molar Refractivity
58.8443
Polarizability
21.056026
Polar Surface Area
55.04
Rotatable Bonds
1
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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