Molecule

ID:27098

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-2-7-14-9-5-3-8(4-6-9)10(13)12-11/h3-6H,2,7,11H2,1H3,(H,12,13)
InChIKey
VPDVPMYHIZEJBB-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)C(=O)NN
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCC)NN
Calculated Properties
JChem
Acid pKa
14.50755
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2481219
LogD (pH = 7.4)
1.2490575
Log P
1.2490695
Molar Refractivity
55.3563
Polarizability
20.78833
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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