Molecule

ID:52474

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c1-12-7-4-2-3-6(5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
InChIKey
VMZSDAQEWPNOIB-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cccc(c1)OC
Isomeric Smiles
C(=O)(c1cc(ccc1)OC)NN
Calculated Properties
JChem
Acid pKa
14.045088
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.36888877
LogD (pH = 7.4)
0.36972836
Log P
0.36973915
Molar Refractivity
46.0837
Polarizability
17.116106
Polar Surface Area
64.35
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
No Data Available
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Molecule Details
References
Bioactivity
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