Molecule

ID:76062

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c11-5-8-1-3-9(4-2-8)12-6-10-7-13-10/h1-5,10H,6-7H2
InChIKey
VAKABUBSGYOQIM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCC1OC1
Isomeric Smiles
O=Cc1ccc(cc1)OCC1CO1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3693435
LogD (pH = 7.4)
1.3693435
Log P
1.3693435
Molar Refractivity
47.8499
Polarizability
18.396843
Polar Surface Area
38.83
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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