Molecule

ID:127739

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₆O₅
Molecular Mass
404.53964
Exact Mass
404.25627425
Charge
0
InChI
InChI=1S/C24H36O5/c1-4-5-20(27)29-14-24(28)11-9-18-17-7-6-15-12-16(25)8-10-22(15,2)21(17)19(26)13-23(18,24)3/h12,17-19,21,26,28H,4-11,13-14H2,1-3H3
InChIKey
QVZHJTWKTBJCQR-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)OCC1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C
Isomeric Smiles
CCCC(=O)OCC1(CCC2C1(CC(C1C2CCC2=CC(=O)CCC12C)O)C)O
Calculated Properties
JChem
Acid pKa
13.5599375
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.8765552
LogD (pH = 7.4)
2.8765547
Log P
2.8765552
Molar Refractivity
110.5836
Polarizability
43.86505
Polar Surface Area
83.83
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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