Molecule

ID:17395

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄
Molecular Mass
188.22908
Exact Mass
188.1061964
Charge
0
InChI
InChI=1S/C10H12N4/c1-8-5-10(11)14(13-8)7-9-3-2-4-12-6-9/h2-6H,7,11H2,1H3
InChIKey
GKHOKBZTVDVWTP-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)N)Cc1cccnc1
Isomeric Smiles
n1(c(cc(n1)C)N)Cc1cccnc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.13477719
LogD (pH = 7.4)
0.29715225
Log P
0.2996418
Molar Refractivity
65.9623
Polarizability
20.485224
Polar Surface Area
56.73
Rotatable Bonds
2
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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