Molecule
ID:25794
General Information
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-2-6-14-9-5-3-4-8(7-9)10(13)12-11/h3-5,7H,2,6,11H2,1H3,(H,12,13)
InChIKey
VHLBQRWIRWVAKA-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cccc(c1)C(=O)NN
Isomeric Smiles
C(=O)(c1cc(OCCC)ccc1)NN
Calculated Properties
JChem
Acid pKa
14.040861
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2482196
LogD (pH = 7.4)
1.2490587
Log P
1.2490695
Molar Refractivity
55.3563
Polarizability
20.788921
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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