Molecule

ID:4125

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂O₂
Molecular Mass
304.46688
Exact Mass
304.24023026
Charge
0
InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+
InChIKey
YZXBAPSDXZZRGB-CGRWFSSPSA-N
Canonic Smiles
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O
Isomeric Smiles
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.819772
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.8251953
LogD (pH = 7.4)
4.052063
Log P
6.5871706
Molar Refractivity
99.954
Polarizability
37.14881
Polar Surface Area
37.3
Rotatable Bonds
14
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
6.8
LOG S
-6.3
Solubility (Water)
1.51e-04 g/l
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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