Molecule

ID:131023

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₈O₂
Molecular Mass
372.49932
Exact Mass
372.20893014
Charge
0
InChI
InChI=1S/C26H28O2/c27-24(28)12-7-5-3-1-2-4-6-9-19-13-14-22-16-15-20-10-8-11-21-17-18-23(19)26(22)25(20)21/h8,10-11,13-18H,1-7,9,12H2,(H,27,28)
InChIKey
PIMKEUIWMFJVNB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCc1ccc2c3c1ccc1c3c(cc2)ccc1
Isomeric Smiles
c1cc2ccc3ccc(c4c3c2c(c1)cc4)CCCCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.8224196
LogD (pH = 7.4)
5.0632844
Log P
7.478225
Molar Refractivity
114.8382
Polarizability
48.523624
Polar Surface Area
37.3
Rotatable Bonds
10
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
References
Bioactivity
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