Molecule

ID:44734

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄
Molecular Mass
188.22908
Exact Mass
188.1061964
Charge
0
InChI
InChI=1S/C10H12N4/c11-8-9-2-1-3-13-10(9)14-6-4-12-5-7-14/h1-3,12H,4-7H2
InChIKey
QSMNQUURWIAXAA-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccnc1N1CCNCC1
Isomeric Smiles
c1ccnc(c1C#N)N1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.1557577
LogD (pH = 7.4)
-0.5640742
Log P
0.7782426
Molar Refractivity
55.1202
Polarizability
20.56441
Polar Surface Area
51.95
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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