Molecule

ID:135014

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆O₄
Molecular Mass
306.39664
Exact Mass
306.18310931
Charge
0
InChI
InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
InChIKey
IPKKHRVROFYTEK-UHFFFAOYSA-N
Canonic Smiles
CCCCCOC(=O)c1ccccc1C(=O)OCCCCC
Isomeric Smiles
c1ccc(c(c1)C(=O)OCCCCC)C(=O)OCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.517135
LogD (pH = 7.4)
5.517135
Log P
5.517135
Molar Refractivity
87.0578
Polarizability
33.924175
Polar Surface Area
52.6
Rotatable Bonds
12
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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