Molecule

ID:65571

General Information
Structure
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c1-10(2,3)9-12-7-6-11-5-4-8(7)13-9/h4-6H,1-3H3
InChIKey
UCSGJYWVCRIWKF-UHFFFAOYSA-N
Canonic Smiles
CC(c1nc2c(o1)ccnc2)(C)C
Isomeric Smiles
c1cncc2c1oc(n2)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0247612
LogD (pH = 7.4)
2.0247936
Log P
2.024794
Molar Refractivity
48.7093
Polarizability
20.227625
Polar Surface Area
38.92
Rotatable Bonds
1
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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