Molecule

ID:10208

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₄O₂
Molecular Mass
314.38218
Exact Mass
314.17427596
Charge
0
InChI
InChI=1S/C17H22N4O2/c1-22-14-12-15(23-2)20-17(19-14)16(13-6-4-3-5-7-13)21-10-8-18-9-11-21/h3-7,12,16,18H,8-11H2,1-2H3
InChIKey
BGJADJLMAYMTRR-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)nc(n1)C(c1ccccc1)N1CCNCC1
Isomeric Smiles
c1c(nc(nc1OC)C(c1ccccc1)N1CCNCC1)OC
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-0.5806773
LogD (pH = 7.4)
0.8200638
Log P
2.625607
Molar Refractivity
89.4424
Polarizability
34.698006
Polar Surface Area
59.51
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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