Molecule

ID:60985

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₅O₂
Molecular Mass
237.2584
Exact Mass
237.12257475
Charge
0
InChI
InChI=1S/C10H15N5O2/c11-7-5-8(16)14-10(13-7)15-3-1-6(2-4-15)9(12)17/h5-6H,1-4H2,(H2,12,17)(H3,11,13,14,16)
InChIKey
QJHXLUACECQEPF-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCN(CC1)c1nc(N)cc(=O)[nH]1
Isomeric Smiles
c1(nc(cc(=O)[nH]1)N)N1CCC(C(=O)N)CC1
Calculated Properties
JChem
Acid pKa
11.271821
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.8164266
LogD (pH = 7.4)
-1.4873198
Log P
-1.4809086
Molar Refractivity
71.3579
Polarizability
22.9615
Polar Surface Area
113.81
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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