Molecule

ID:69058

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c1-13-10(12)6-8-4-2-3-5-9(8)7-11/h2-5,7H,6H2,1H3
InChIKey
HGYCMAAUZWDACG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccccc1C=O
Isomeric Smiles
C(=O)(Cc1c(cccc1)C=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4693905
LogD (pH = 7.4)
1.4693905
Log P
1.4693905
Molar Refractivity
48.7187
Polarizability
18.516462
Polar Surface Area
43.37
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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