Molecule

ID:67270

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c1-10(2)9(13)12-7-4-3-6(11)5-8(7)14-10/h3-5H,11H2,1-2H3,(H,12,13)
InChIKey
UXMAGPQBCODAEJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)OC(C(=O)N2)(C)C
Isomeric Smiles
O1c2c(NC(=O)C1(C)C)ccc(c2)N
Calculated Properties
JChem
Acid pKa
12.1445465
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.922235
LogD (pH = 7.4)
0.92714757
Log P
0.92721814
Molar Refractivity
54.7327
Polarizability
19.989939
Polar Surface Area
64.35
Rotatable Bonds
0
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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