Molecule

ID:10990

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₅O₄
Molecular Mass
269.2572
Exact Mass
269.11240399
Charge
0
InChI
InChI=1S/C10H15N5O4/c1-6-8(14-18-12-6)16-4-10(3,11)5-17-9-7(2)13-19-15-9/h4-5,11H2,1-3H3
InChIKey
QSXBZWDAFWGCEF-UHFFFAOYSA-N
Canonic Smiles
CC(COc1nonc1C)(COc1nonc1C)N
Isomeric Smiles
c1(c(non1)OCC(COc1c(non1)C)(N)C)C
Calculated Properties
JChem
H Acceptors
7
H Donor
1
LogD (pH = 5.5)
-3.2911997
LogD (pH = 7.4)
-2.0328157
Log P
-0.36766997
Molar Refractivity
65.8828
Polarizability
24.171743
Polar Surface Area
122.32
Rotatable Bonds
6
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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