Molecule

ID:65575

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c1-10(2,3)9-12-6-4-11-5-7(13)8(6)14-9/h4-5,13H,1-3H3
InChIKey
WHRWLBNMDGQNEZ-UHFFFAOYSA-N
Canonic Smiles
Oc1cncc2c1oc(n2)C(C)(C)C
Isomeric Smiles
c1(cncc2c1oc(n2)C(C)(C)C)O
Calculated Properties
JChem
Acid pKa
7.220953
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7132117
LogD (pH = 7.4)
1.3377237
Log P
1.7212288
Molar Refractivity
50.6902
Polarizability
20.830572
Polar Surface Area
59.15
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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