Molecule

ID:41732

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂O
Molecular Mass
148.16192
Exact Mass
148.06366289
Charge
0
InChI
InChI=1S/C8H8N2O/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,9H2,1H3
InChIKey
FECYTFWPNCBIHC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nc(o2)C
Isomeric Smiles
n1c2c(oc1C)ccc(c2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.61279225
LogD (pH = 7.4)
0.6139889
Log P
0.6140042
Molar Refractivity
41.8642
Polarizability
16.722
Polar Surface Area
52.05
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
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References
Bioactivity
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