Molecule
ID:21679
General Information
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-7-4-3-5-9(8(7)2)14-6-10(13)12-11/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKey
IMRIARQZPKNHKZ-UHFFFAOYSA-N
Canonic Smiles
Cc1c(OCC(=O)NN)cccc1C
Isomeric Smiles
C(=O)(NN)COc1c(c(ccc1)C)C
Calculated Properties
JChem
Acid pKa
12.499987
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2155643
LogD (pH = 7.4)
1.2169613
Log P
1.2169824
Molar Refractivity
54.9945
Polarizability
20.854902
Polar Surface Area
64.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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