Molecule

ID:133133

General Information
Structure
MolImage
Molecular Formula
C₂₇H₄₆O₂
Molecular Mass
402.65294
Exact Mass
402.34978071
Charge
0
InChI
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3
InChIKey
PRYIJAGAEJZDBO-UHFFFAOYSA-N
Canonic Smiles
CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C
Isomeric Smiles
CC(C)CCCC(C)C1CCC2C1(CCC1C2CC2C3(C1(CCC(C3)O)C)O2)C
Calculated Properties
JChem
Acid pKa
15.161281
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.3731747
LogD (pH = 7.4)
6.3731747
Log P
6.3731747
Molar Refractivity
119.1024
Polarizability
48.140965
Polar Surface Area
32.76
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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