Molecule

ID:61203

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃O₂
Molecular Mass
207.22912
Exact Mass
207.10077667
Charge
0
InChI
InChI=1S/C10H13N3O2/c1-7-8(9(14)15)6-11-10(12-7)13-4-2-3-5-13/h6H,2-5H2,1H3,(H,14,15)
InChIKey
CHWCHEHLZAWFMC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnc(nc1C)N1CCCC1
Isomeric Smiles
C1CN(CC1)c1ncc(c(n1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8587732
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.7404765
LogD (pH = 7.4)
-2.2616303
Log P
0.769284
Molar Refractivity
56.4856
Polarizability
20.465189
Polar Surface Area
66.32
Rotatable Bonds
2
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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