Molecule

ID:102254

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₄O₂
Molecular Mass
318.49346
Exact Mass
318.25588033
Charge
0
InChI
InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3
InChIKey
OFIDNKMQBYGNIW-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC
Isomeric Smiles
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.7330647
LogD (pH = 7.4)
6.7330647
Log P
6.7330647
Molar Refractivity
104.7231
Polarizability
39.259087
Polar Surface Area
26.3
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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