Molecule

ID:746

General Information
Structure
MolImage
Molecular Formula
C₃₀H₅₃NO₁₁
Molecular Mass
603.74192
Exact Mass
603.36186152
Charge
0
InChI
InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3
InChIKey
MAFMQEKGGFWBAB-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(cc1)NCCCC
Isomeric Smiles
O(CCOCCOCCOCCOCCOC)CCOCCOCCOCCOC(=O)c1ccc(NCCCC)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.35
LogD (pH = 5.5)
2.35
Log P
2.35
Rotatable Bonds
33
H Donor
1
H Acceptors
11
Lipinski's Rule of Five
false
Acid pKa
3.47
Polar Surface Area
121.40
Polarizability
72.51
Molar Refractivity
161.54
LOG S
-2.13
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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