Molecule

ID:14426

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-2-12-9-6-4-3-5-8(9)11-10(12)7-13/h3-7H,2H2,1H3
InChIKey
ZIOUQTZLLSBGDM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nc2c(n1CC)cccc2
Isomeric Smiles
c12n(c(nc1cccc2)C=O)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2170076
LogD (pH = 7.4)
2.2187064
Log P
2.218728
Molar Refractivity
50.6618
Polarizability
20.167435
Polar Surface Area
34.89
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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