Molecule

ID:126682

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3
InChIKey
DKZBBWMURDFHNE-UHFFFAOYSA-N
Canonic Smiles
O=C/C=C/c1ccc(c(c1)OC)O
Isomeric Smiles
COc1c(ccc(c1)/C=C/C=O)O
Calculated Properties
JChem
Acid pKa
9.515601
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5161918
LogD (pH = 7.4)
1.51294
Log P
1.5162334
Molar Refractivity
50.5786
Polarizability
18.87933
Polar Surface Area
46.53
Rotatable Bonds
3
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
References
Bioactivity
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