Molecule

ID:27173

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-7-3-4-9(5-8(7)2)14-6-10(13)12-11/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKey
HOGMUXKJTIYZAL-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)COc1ccc(c(c1)C)C
Isomeric Smiles
C(=O)(NN)COc1cc(c(cc1)C)C
Calculated Properties
JChem
Acid pKa
12.479788
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2155643
LogD (pH = 7.4)
1.2169611
Log P
1.2169824
Molar Refractivity
54.9945
Polarizability
20.853476
Polar Surface Area
64.35
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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