Molecule

ID:67096

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O₂
Molecular Mass
209.245
Exact Mass
209.11642674
Charge
0
InChI
InChI=1S/C10H15N3O2/c1-7-5-12-8(6-11-7)13-9(14)15-10(2,3)4/h5-6H,1-4H3,(H,12,13,14)
InChIKey
FGAZCKUQQRDXOX-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)Nc1cnc(cn1)C
Isomeric Smiles
c1(cnc(cn1)C)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.659545
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1746852
LogD (pH = 7.4)
1.1746875
Log P
1.1746898
Molar Refractivity
56.9414
Polarizability
21.430822
Polar Surface Area
64.11
Rotatable Bonds
3
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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