Molecule

ID:85391

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₅O₂
Molecular Mass
253.30086
Exact Mass
253.15387487
Charge
0
InChI
InChI=1S/C11H19N5O2/c1-3-18-10(17)9(2)16-13-11(12-14-16)15-7-5-4-6-8-15/h9H,3-8H2,1-2H3
InChIKey
QPBNGXZZJBFBDJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(n1nnc(n1)N1CCCCC1)C
Isomeric Smiles
n1c(N2CCCCC2)nnn1C(C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.04301
LogD (pH = 7.4)
2.04301
Log P
2.04301
Molar Refractivity
79.8379
Polarizability
25.051609
Polar Surface Area
73.14
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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