Molecule

ID:30126

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-7-2-3-9-8(5-11(12)13)6-14-10(9)4-7/h2-4,6H,5H2,1H3,(H,12,13)
InChIKey
ZGVSMROZRSOMIQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1coc2c1ccc(c2)C
Isomeric Smiles
c1(c2c(oc1)cc(cc2)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.7167196
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4348193
LogD (pH = 7.4)
-0.34278497
Log P
2.2835388
Molar Refractivity
51.2479
Polarizability
20.653461
Polar Surface Area
50.44
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
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Molecule Details
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References
Bioactivity
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