Molecule

ID:57871

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-2-8-5-3-4-6-9(8)14-7-10(13)12-11/h3-6H,2,7,11H2,1H3,(H,12,13)
InChIKey
RUJYPSOGZRGFLN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)COc1ccccc1CC
Isomeric Smiles
c1c(c(ccc1)OCC(=O)NN)CC
Calculated Properties
JChem
Acid pKa
12.451335
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1467116
LogD (pH = 7.4)
1.1481082
Log P
1.1481296
Molar Refractivity
54.5543
Polarizability
20.930342
Polar Surface Area
64.35
Rotatable Bonds
4
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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