Molecule

ID:70111

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h4-7H,1-3H3,(H,11,12,13)
InChIKey
DRZYCRFOGWMEES-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccncc1)OC(C)(C)C
Isomeric Smiles
c1cc(ccn1)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.750133
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5845411
LogD (pH = 7.4)
1.6653706
Log P
1.6665345
Molar Refractivity
54.1933
Polarizability
20.532106
Polar Surface Area
51.22
Rotatable Bonds
3
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
References
Bioactivity
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