Molecule

ID:128708

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂O₂
Molecular Mass
258.35538
Exact Mass
258.16197994
Charge
0
InChI
InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,17-19H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11+/t17-/m1/s1
InChIKey
UPXPHJXYZGEBCW-SRFVWEJJSA-N
Canonic Smiles
CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O
Isomeric Smiles
CCC[C@@H](O)CC/C=C/C=C/C#CC#C/C=C/CO
Calculated Properties
JChem
Acid pKa
15.565614
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.4375517
LogD (pH = 7.4)
3.437552
Log P
3.437552
Molar Refractivity
85.536
Polarizability
30.37575
Polar Surface Area
40.46
Rotatable Bonds
10
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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