Molecule

ID:127528

General Information
Structure
MolImage
Molecular Formula
C₂₈H₄₈O₂
Molecular Mass
416.67952
Exact Mass
416.36543078
Charge
0
InChI
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1
InChIKey
QUEDXNHFTDJVIY-DQCZWYHMSA-N
Canonic Smiles
C[C@H](CCC[C@@H](CCCC(C)C)C)CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2)O)C
Isomeric Smiles
C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@]1(C)Oc2c(C)c(C)c(O)cc2CC1
Calculated Properties
JChem
LogD (pH = 7.4)
9.99
LogD (pH = 5.5)
9.99
Log P
9.99
Rotatable Bonds
12
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
10.47
Polar Surface Area
29.46
Polarizability
54.38
Molar Refractivity
130.33
LOG S
-9.84
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
References
Bioactivity
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