Molecule

ID:60988

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄O
Molecular Mass
202.2126
Exact Mass
202.08546096
Charge
0
InChI
InChI=1S/C10H10N4O/c11-8-6-9(15)14-10(13-8)12-7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14,15)
InChIKey
LGTZAEPRFMFTSK-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(=O)[nH]c(n1)Nc1ccccc1
Isomeric Smiles
c1(nc(cc(=O)[nH]1)N)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
11.19232
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.8882986
LogD (pH = 7.4)
0.8972375
Log P
0.8974157
Molar Refractivity
67.4175
Polarizability
20.940086
Polar Surface Area
79.51
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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