Molecule

ID:31360

General Information
Structure
Molecular Formula
C₁₀H₁₆N₄
Molecular Mass
192.26084
Exact Mass
192.13749653
Charge
0
InChI
InChI=1S/C10H16N4/c1-8-7-10(13-9(2)12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
InChIKey
NARMKNJWXHFJFF-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(C)nc(c1)N1CCNCC1
Isomeric Smiles
c1(nc(nc(c1)C)C)N1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.433668
LogD (pH = 7.4)
-0.5156991
Log P
1.0036159
Molar Refractivity
57.4357
Polarizability
21.364216
Polar Surface Area
41.05
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
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Molecule Details
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References
Bioactivity
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