Molecule

ID:116557

General Information
Structure
Molecular Formula
C₁₄H₂₀N₆O
Molecular Mass
288.3482
Exact Mass
288.16985929
Charge
0
InChI
InChI=1S/C14H20N6O/c1-2-21-13-5-3-12(4-6-13)20-14(16-17-18-20)11-19-9-7-15-8-10-19/h3-6,15H,2,7-11H2,1H3
InChIKey
OWWCDIZQBCDQSI-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)n1nnnc1CN1CCNCC1
Isomeric Smiles
c1(n(nnn1)c1ccc(cc1)OCC)CN1CCNCC1
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-2.4275353
LogD (pH = 7.4)
-1.1150599
Log P
0.6884417
Molar Refractivity
82.8298
Polarizability
31.544065
Polar Surface Area
68.1
Rotatable Bonds
5
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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