Molecule

ID:30948

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-13-10-3-2-9-4-8(6-12)7-14-11(9)5-10/h2-6H,7H2,1H3
InChIKey
ODUYMNRQOUHOBN-UHFFFAOYSA-N
Canonic Smiles
O=CC1=Cc2c(OC1)cc(cc2)OC
Isomeric Smiles
C1=C(COc2c1ccc(c2)OC)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2954838
LogD (pH = 7.4)
1.2954838
Log P
1.2954838
Molar Refractivity
52.9314
Polarizability
20.063786
Polar Surface Area
35.53
Rotatable Bonds
2
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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