Molecule

ID:110653

General Information
Structure
Molecular Formula
C₃₈H₇₆N₂O₄
Molecular Mass
625.02104
Exact Mass
624.58050892
Charge
0
InChI
InChI=1S/C38H76N2O4/c1-3-5-7-21-27-35(41)29-23-17-13-9-11-15-19-25-31-37(43)39-33-34-40-38(44)32-26-20-16-12-10-14-18-24-30-36(42)28-22-8-6-4-2/h35-36,41-42H,3-34H2,1-2H3,(H,39,43)(H,40,44)
InChIKey
YLWQQYRYYZPZLJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(CCCCCC)O)O
Isomeric Smiles
CCCCCCC(O)CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(O)CCCCCC
Calculated Properties
JChem
Acid pKa
15.7675085
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
10.179943
LogD (pH = 7.4)
10.179945
Log P
10.179945
Molar Refractivity
187.379
Polarizability
74.38419
Polar Surface Area
98.66
Rotatable Bonds
35
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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