Molecule
ID:121116
General Information
Molecular Formula
C₁₀H₁₃N₃O₂
Molecular Mass
207.22912
Exact Mass
207.10077667
Charge
0
InChI
InChI=1S/C10H13N3O2/c1-7-6-9(15)12-10(11-7)13-4-2-8(14)3-5-13/h6H,2-5H2,1H3,(H,11,12,15)
InChIKey
MZJJGKUJGBNVTH-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(CC1)c1nc(C)cc(n1)O
Isomeric Smiles
c1(nc(cc(n1)C)O)N1CCC(=O)CC1
Calculated Properties
JChem
Acid pKa
12.441299
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.2415087
LogD (pH = 7.4)
1.2417836
Log P
1.241791
Molar Refractivity
56.4582
Polarizability
20.647362
Polar Surface Area
66.32
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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