Molecule

ID:22333

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)12-7-6-11-5-4-8(7)13/h4-6H,1-3H3,(H,11,13)(H,12,14)
InChIKey
DSVBYRRFYZWOBF-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1cnccc1O
Isomeric Smiles
C(=O)(C(C)(C)C)Nc1cnccc1O
Calculated Properties
JChem
Acid pKa
9.372748
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4884984
LogD (pH = 7.4)
1.4847345
Log P
1.4892548
Molar Refractivity
54.4474
Polarizability
20.448292
Polar Surface Area
62.22
Rotatable Bonds
2
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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