Molecule

ID:111787

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₀N₆O₆
Molecular Mass
498.5316
Exact Mass
498.22268271
Charge
0
InChI
InChI=1S/C24H30N6O6/c25-10-2-16-31-22(32-17-3-11-26)8-1-9-23(33-18-4-12-27,34-19-5-13-28)24(22,35-20-6-14-29)36-21-7-15-30/h1-9,16-21H2
InChIKey
TYCLUZTVTFTGMH-UHFFFAOYSA-N
Canonic Smiles
N#CCCOC1(OCCC#N)C(CCCC1(OCCC#N)OCCC#N)(OCCC#N)OCCC#N
Isomeric Smiles
N#CCCOC1(CCCC(OCCC#N)(OCCC#N)C1(OCCC#N)OCCC#N)OCCC#N
Calculated Properties
JChem
H Acceptors
12
H Donor
0
LogD (pH = 5.5)
0.6008597
LogD (pH = 7.4)
0.6008597
Log P
0.6008597
Molar Refractivity
123.7082
Polarizability
47.644207
Polar Surface Area
198.12
Rotatable Bonds
18
Lipinski's Rule of Five
false
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
References
Bioactivity
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