Molecule

ID:120379

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c1-7(11)10-6-12-8-4-2-3-5-9(8)13-10/h2-5,10H,6H2,1H3
InChIKey
KVCWAZWJLMNADA-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C1COc2c(O1)cccc2
Isomeric Smiles
O1C(C(=O)C)COc2c1cccc2
Calculated Properties
JChem
Acid pKa
17.919334
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5059434
LogD (pH = 7.4)
1.5059434
Log P
1.5059434
Molar Refractivity
46.3964
Polarizability
18.402601
Polar Surface Area
35.53
Rotatable Bonds
1
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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