Molecule

ID:119331

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂O₂
Molecular Mass
258.35538
Exact Mass
258.16197994
Charge
0
InChI
InChI=1S/C17H22O2/c1-5-17(4)11-10-13-15(19-17)12-8-6-7-9-14(12)18-16(13,2)3/h5-9,13,15H,1,10-11H2,2-4H3
InChIKey
WNGKNBXEGIYGPF-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)
3.8586578
LogD (pH = 7.4)
3.8586578
Log P
3.8586578
Molar Refractivity
76.4688
Polarizability
30.261372
Polar Surface Area
18.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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