Molecule

ID:128810

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆O₃
Molecular Mass
278.38654
Exact Mass
278.18819469
Charge
0
InChI
InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h4,15-20H,2-3,5-7,10,13-14H2,1H3/t15-,16+,17+/m1/s1
InChIKey
RDIMTXDFGHNINN-IKGGRYGDSA-N
Canonic Smiles
CCCCCCC[C@@H]([C@H](CC#CC#C[C@@H](C=C)O)O)O
Isomeric Smiles
CCCCCCC[C@@H]([C@H](CC#CC#C[C@@H](C=C)O)O)O
Calculated Properties
JChem
Acid pKa
13.139141
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
3.3502927
LogD (pH = 7.4)
3.350292
Log P
3.350293
Molar Refractivity
83.1786
Polarizability
31.46052
Polar Surface Area
60.69
Rotatable Bonds
12
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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