Molecule

ID:79100

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c9-8(10-12)5-6-1-3-7(11)4-2-6/h1-4,11-12H,5H2,(H2,9,10)
InChIKey
FTFFWVKTHDZJMW-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/Cc1ccc(cc1)O)\N
Isomeric Smiles
N(=C(\Cc1ccc(cc1)O)/N)/O
Calculated Properties
JChem
Acid pKa
9.490072
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.31785396
LogD (pH = 7.4)
0.5593127
Log P
0.56713265
Molar Refractivity
45.1125
Polarizability
17.17971
Polar Surface Area
78.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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