Molecule

ID:103374

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂O₄
Molecular Mass
336.46568
Exact Mass
336.2300595
Charge
0
InChI
InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)
InChIKey
VNYSSYRCGWBHLG-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/CC(/C=C/C=C/C=C/C(CCCC(=O)O)O)O
Isomeric Smiles
CCCCC/C=C/CC(O)/C=C/C=C/C=C/C(O)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.646345
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
3.2158768
LogD (pH = 7.4)
1.4384097
Log P
4.125549
Molar Refractivity
102.985
Polarizability
38.347828
Polar Surface Area
77.76
Rotatable Bonds
14
Lipinski's Rule of Five
true
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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