Molecule

ID:39802

General Information
Structure
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-3-8-14-10-7-5-4-6-9(10)11(12)13-2/h1,4-7H,8H2,2H3
InChIKey
WYKFWIYGJGNLRD-UHFFFAOYSA-N
Canonic Smiles
C#CCOc1ccccc1C(=O)OC
Isomeric Smiles
c1(C(=O)OC)c(OCC#C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0471346
LogD (pH = 7.4)
2.0471346
Log P
2.0471346
Molar Refractivity
52.1267
Polarizability
19.857439
Polar Surface Area
35.53
Rotatable Bonds
4
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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