Molecule

ID:77182

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄
Molecular Mass
174.2025
Exact Mass
174.09054634
Charge
0
InChI
InChI=1S/C9H10N4/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3
InChIKey
FUZWWFVYRMIXMT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1nncn1C
Isomeric Smiles
n1(c(nnc1)c1ccc(cc1)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.30924213
LogD (pH = 7.4)
0.31378627
Log P
0.3138445
Molar Refractivity
63.9277
Polarizability
19.427385
Polar Surface Area
56.73
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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