Molecule

ID:88762

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂O
Molecular Mass
148.16192
Exact Mass
148.06366289
Charge
0
InChI
InChI=1S/C8H8N2O/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,10H2,1H3
InChIKey
MAYBZGKWHOVSAQ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)N)OC
Isomeric Smiles
Nc1cc(ccc1OC)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.84205323
LogD (pH = 7.4)
0.84273607
Log P
0.84274477
Molar Refractivity
42.9432
Polarizability
15.815913
Polar Surface Area
59.04
Rotatable Bonds
1
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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