Molecule

ID:83352

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-3-7-13-11(14-8-4-2)10-6-5-9-12-10/h1-2,5-6,9,11H,7-8H2
InChIKey
XVACQOAWONSQCA-UHFFFAOYSA-N
Canonic Smiles
C#CCOC(c1ccco1)OCC#C
Isomeric Smiles
o1c(ccc1)C(OCC#C)OCC#C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6443379
LogD (pH = 7.4)
1.6443379
Log P
1.6443379
Molar Refractivity
50.9575
Polarizability
19.285934
Polar Surface Area
31.6
Rotatable Bonds
5
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
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References
Bioactivity
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