Molecule

ID:25808

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-2-14-9-5-3-8(4-6-9)7-10(13)12-11/h3-6H,2,7,11H2,1H3,(H,12,13)
InChIKey
MSJDXVNHEKXCOO-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CC(=O)NN
Isomeric Smiles
C(=O)(NN)Cc1ccc(cc1)OCC
Calculated Properties
JChem
Acid pKa
12.683706
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.70493937
LogD (pH = 7.4)
0.70668805
Log P
0.7067125
Molar Refractivity
54.8837
Polarizability
21.003023
Polar Surface Area
64.35
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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