Molecule

ID:130717

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₀O₄
Molecular Mass
382.4926
Exact Mass
382.21440944
Charge
0
InChI
InChI=1S/C24H30O4/c1-5-21(17-9-13-19(14-10-17)27-23(25)7-3)22(6-2)18-11-15-20(16-12-18)28-24(26)8-4/h9-16,21-22H,5-8H2,1-4H3
InChIKey
HZLYMVNJKHJFRO-UHFFFAOYSA-N
Canonic Smiles
CCC(C(c1ccc(cc1)OC(=O)CC)CC)c1ccc(cc1)OC(=O)CC
Isomeric Smiles
CCC(c1ccc(cc1)OC(=O)CC)C(CC)c1ccc(cc1)OC(=O)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.5883775
LogD (pH = 7.4)
6.5883775
Log P
6.5883775
Molar Refractivity
110.214
Polarizability
43.351246
Polar Surface Area
52.6
Rotatable Bonds
11
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
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References
Bioactivity
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