Molecule
ID:21674
General Information
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-2-7-14-9-6-4-3-5-8(9)10(13)12-11/h3-6H,2,7,11H2,1H3,(H,12,13)
InChIKey
ZPDRCLMKIDAUSA-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccccc1C(=O)NN
Isomeric Smiles
c1(C(=O)NN)c(OCCC)cccc1
Calculated Properties
JChem
Acid pKa
13.582306
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2482986
LogD (pH = 7.4)
1.2490596
Log P
1.2490695
Molar Refractivity
55.3563
Polarizability
20.791008
Polar Surface Area
64.35
Rotatable Bonds
4
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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