Molecule

ID:107878

General Information
Structure
MolImage
Molecular Formula
C₂₈H₄₂O₂
Molecular Mass
410.63188
Exact Mass
410.31848058
Charge
0
InChI
InChI=1S/C16H32O2.C12H10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2-15H2,1H3,(H,17,18);1-10H
InChIKey
QIJBOEVLRHQVLB-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccccc1.CCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
c1ccc(cc1)c1ccccc1.CCCCCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.600777
LogD (pH = 7.4)
3.8416421
Log P
6.2565827
Molar Refractivity
77.083595
Polarizability
30.713764
Polar Surface Area
37.3
Rotatable Bonds
15
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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