Molecule

ID:41878

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7,11H2
InChIKey
AQZLTCXQTOKUAA-UHFFFAOYSA-N
Canonic Smiles
NCc1onc(c1)c1ccccc1
Isomeric Smiles
n1c(cc(o1)CN)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.74446595
LogD (pH = 7.4)
0.92713565
Log P
1.4166365
Molar Refractivity
50.6151
Polarizability
20.657572
Polar Surface Area
52.05
Rotatable Bonds
2
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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