Molecule

ID:63076

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)14-9(13)12-8-6-4-5-7-11-8/h4-7H,1-3H3,(H,11,12,13)
InChIKey
ORUGTGTZBRUQIT-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)Nc1ccccn1
Isomeric Smiles
c1ccc(nc1)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.908497
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2552638
LogD (pH = 7.4)
2.2609181
Log P
2.260992
Molar Refractivity
54.5068
Polarizability
20.536451
Polar Surface Area
51.22
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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