Molecule

ID:87399

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂O
Molecular Mass
148.16192
Exact Mass
148.06366289
Charge
0
InChI
InChI=1S/C8H8N2O/c1-10-7-3-2-4-8(11)6(7)5-9-10/h2-5,11H,1H3
InChIKey
FMTRKWLCVGCOIB-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc2c1cnn2C
Isomeric Smiles
n1cc2c(cccc2n1C)O
Calculated Properties
JChem
Acid pKa
8.782768
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.116169
LogD (pH = 7.4)
1.0989178
Log P
1.1164185
Molar Refractivity
53.27
Polarizability
17.012579
Polar Surface Area
38.05
Rotatable Bonds
0
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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