Molecule

ID:108477

General Information
Structure
MolImage
Molecular Formula
C₃₇H₇₄N₂O₂
Molecular Mass
578.99566
Exact Mass
578.57502962
Charge
0
InChI
InChI=1S/C37H74N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(40)38-35-39-37(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3,(H,38,40)(H,39,41)
InChIKey
FTQWRYSLUYAIRQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
13.425831
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
13.063483
LogD (pH = 7.4)
13.063483
Log P
13.063483
Molar Refractivity
178.8495
Polarizability
71.34567
Polar Surface Area
58.2
Rotatable Bonds
34
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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