Molecule

ID:125254

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₀O₃
Molecular Mass
364.5619
Exact Mass
364.29774514
Charge
0
InChI
InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3
InChIKey
CUJUUWXZAQHCNC-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCOC(CO)CO
Isomeric Smiles
OCC(OCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)CO
Calculated Properties
JChem
Acid pKa
14.302552
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
5.7934237
LogD (pH = 7.4)
5.7934237
Log P
5.7934237
Molar Refractivity
117.2233
Polarizability
44.08574
Polar Surface Area
49.69
Rotatable Bonds
18
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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