Molecule

ID:105222

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂O₃
Molecular Mass
320.46628
Exact Mass
320.23514488
Charge
0
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)
InChIKey
VBQNSZQZRAGRIX-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/C/C=C/C/C=C/CC1OC1CCCC(=O)O
Isomeric Smiles
CCCCC/C=C/C/C=C/C/C=C/CC1OC1CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.460852
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.573452
LogD (pH = 7.4)
2.8088102
Log P
5.6491737
Molar Refractivity
98.3583
Polarizability
37.31892
Polar Surface Area
49.83
Rotatable Bonds
14
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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