Molecule

ID:76756

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₉O₃
Molecular Mass
309.2846
Exact Mass
309.12978539
Charge
0
InChI
InChI=1S/C10H15N9O3/c11-8-9(16-22-15-8)19-6(5-18-1-3-21-4-2-18)7(14-17-19)10(20)13-12/h1-5,12H2,(H2,11,15)(H,13,20)
InChIKey
HXVIXDZDBSWEPM-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N
Isomeric Smiles
n1c(n2c(c(nn2)C(=O)NN)CN2CCOCC2)c(no1)N
Calculated Properties
JChem
Acid pKa
11.067284
H Acceptors
9
H Donor
3
LogD (pH = 5.5)
-1.8460343
LogD (pH = 7.4)
-1.7908988
Log P
-1.7900648
Molar Refractivity
79.1599
Polarizability
27.384615
Polar Surface Area
163.24
Rotatable Bonds
4
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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