Molecule

ID:50550

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-7-5-8(14)9(12-6-7)13-10(15)11(2,3)4/h5-6,14H,1-4H3,(H,12,13,15)
InChIKey
RZYQPAXMKHZVFX-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1)O)NC(=O)C(C)(C)C
Isomeric Smiles
c1(cnc(c(c1)O)NC(=O)C(C)(C)C)C
Calculated Properties
JChem
Acid pKa
8.169751
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.5186372
LogD (pH = 7.4)
2.5290656
Log P
2.5971339
Molar Refractivity
59.8021
Polarizability
22.215557
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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