Molecule

ID:23730

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-10(2,3)9(14)12-7-4-5-11-6-8(7)13/h4-6,13H,1-3H3,(H,11,12,14)
InChIKey
HZNFSZMIMUTCGG-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1ccncc1O
Isomeric Smiles
c1cncc(c1NC(=O)C(C)(C)C)O
Calculated Properties
JChem
Acid pKa
7.9878883
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0019332
LogD (pH = 7.4)
1.3702776
Log P
1.4892548
Molar Refractivity
54.4474
Polarizability
20.449976
Polar Surface Area
62.22
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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