Molecule

ID:52455

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c1-5-3-2-4-6(7(5)11)8(12)10-9/h2-4,11H,9H2,1H3,(H,10,12)
InChIKey
UWNTVIWGDXKENJ-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1O)C(=O)NN
Isomeric Smiles
C(=O)(c1c(c(ccc1)C)O)NN
Calculated Properties
JChem
Acid pKa
8.489828
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.3864293
LogD (pH = 7.4)
1.3535501
Log P
1.3872665
Molar Refractivity
46.6426
Polarizability
16.974726
Polar Surface Area
75.35
Rotatable Bonds
1
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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