Molecule

ID:23818

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂O
Molecular Mass
148.16192
Exact Mass
148.06366289
Charge
0
InChI
InChI=1S/C8H8N2O/c1-10-3-2-6-4-7(11)5-9-8(6)10/h2-5,11H,1H3
InChIKey
KZIKASUARYIORO-UHFFFAOYSA-N
Canonic Smiles
Oc1cnc2c(c1)ccn2C
Isomeric Smiles
c1(cnc2c(c1)ccn2C)O
Calculated Properties
JChem
Acid pKa
10.400767
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.125779
LogD (pH = 7.4)
1.1412724
Log P
1.1419082
Molar Refractivity
41.8178
Polarizability
16.337532
Polar Surface Area
38.05
Rotatable Bonds
0
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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