Molecule

ID:27268

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c9-10-8(12)5-6-1-3-7(11)4-2-6/h1-4,11H,5,9H2,(H,10,12)
InChIKey
YJKVPKGOZNHONU-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cc1ccc(cc1)O
Isomeric Smiles
C(=O)(NN)Cc1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
9.496876
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.20219386
LogD (pH = 7.4)
0.20054771
Log P
0.20401047
Molar Refractivity
45.6528
Polarizability
17.257324
Polar Surface Area
75.35
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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