Molecule

ID:101511

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄O
Molecular Mass
208.26024
Exact Mass
208.13241115
Charge
0
InChI
InChI=1S/C10H16N4O/c1-11-6-9-7-12-10(13-8-9)14-2-4-15-5-3-14/h7-8,11H,2-6H2,1H3
InChIKey
PFYPMSRZQMFCJO-UHFFFAOYSA-N
Canonic Smiles
CNCc1cnc(nc1)N1CCOCC1
Isomeric Smiles
c1(ncc(cn1)CNC)N1CCOCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.8721137
LogD (pH = 7.4)
-1.4172808
Log P
0.17641371
Molar Refractivity
59.4194
Polarizability
22.220877
Polar Surface Area
50.28
Rotatable Bonds
3
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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