Molecule

ID:119322

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀O₂
Molecular Mass
256.3395
Exact Mass
256.14632988
Charge
0
InChI
InChI=1S/C17H20O2/c1-5-17(4)11-10-13-15(19-17)12-8-6-7-9-14(12)18-16(13,2)3/h1,6-9,13,15H,10-11H2,2-4H3
InChIKey
XJYIHLZPVJZAOI-UHFFFAOYSA-N
Canonic Smiles
C#CC1(C)CCC2C(O1)c1ccccc1OC2(C)C
Isomeric Smiles
C12C(C(Oc3c1cccc3)(C)C)CCC(O2)(C#C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.355491
LogD (pH = 7.4)
3.355491
Log P
3.355491
Molar Refractivity
74.8863
Polarizability
29.397186
Polar Surface Area
18.46
Rotatable Bonds
0
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
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References
Bioactivity
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