Molecule

ID:116491

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-5,11H,6H2,1H3
InChIKey
ZTGZJYZILIDGMD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)cc(o2)CO
Isomeric Smiles
o1c(cc2c1ccc(c2)OC)CO
Calculated Properties
JChem
Acid pKa
13.711994
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1273493
LogD (pH = 7.4)
1.1273491
Log P
1.1273493
Molar Refractivity
48.0557
Polarizability
19.674652
Polar Surface Area
42.6
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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