Molecule

ID:59307

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₄O₃
Molecular Mass
334.41334
Exact Mass
334.20049071
Charge
0
InChI
InChI=1S/C17H26N4O3/c1-17(2,3)24-16(22)21-8-4-5-14(21)13-6-7-18-15(19-13)20-9-11-23-12-10-20/h6-7,14H,4-5,8-12H2,1-3H3
InChIKey
DGFNMBBUMVGYLD-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC1c1ccnc(n1)N1CCOCC1)OC(C)(C)C
Isomeric Smiles
c1(nc(ncc1)N1CCOCC1)C1N(CCC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.1579814
LogD (pH = 7.4)
2.1588216
Log P
2.1588323
Molar Refractivity
91.1786
Polarizability
34.78935
Polar Surface Area
67.79
Rotatable Bonds
4
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
No Data Available
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Molecule Details
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References
Bioactivity
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