Molecule

ID:24552

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₄O₂
Molecular Mass
232.23858
Exact Mass
232.09602564
Charge
0
InChI
InChI=1S/C11H12N4O2/c1-15(7-9-13-14-11(12)17-9)10(16)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,14)
InChIKey
HLXZNIGFDAXJPD-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc(o1)CN(C(=O)c1ccccc1)C
Isomeric Smiles
c1(oc(nn1)N)CN(C(=O)c1ccccc1)C
Calculated Properties
JChem
Acid pKa
11.556954
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.09435894
LogD (pH = 7.4)
-0.09438687
Log P
-0.094358414
Molar Refractivity
63.9687
Polarizability
22.741455
Polar Surface Area
85.25
Rotatable Bonds
3
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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