Molecule

ID:88173

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-4-8-9(11-2)6-5-7-10(8)12-3/h1,5-7H,2-3H3
InChIKey
SDMBIXSWLMFUFH-UHFFFAOYSA-N
Canonic Smiles
C#Cc1c(OC)cccc1OC
Isomeric Smiles
O(c1c(c(ccc1)OC)C#C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8087386
LogD (pH = 7.4)
1.8087386
Log P
1.8087386
Molar Refractivity
44.1567
Polarizability
17.940315
Polar Surface Area
18.46
Rotatable Bonds
2
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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