Molecule

ID:136370

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₃
Molecular Mass
192.21118
Exact Mass
192.07864424
Charge
0
InChI
InChI=1S/C11H12O3/c12-9-5-11(6-13-7-11)14-10-4-2-1-3-8(9)10/h1-4,9,12H,5-7H2
InChIKey
JLURKHCRYKLNED-UHFFFAOYSA-N
Canonic Smiles
OC1CC2(COC2)Oc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)C(CC1(O2)COC1)O
Calculated Properties
JChem
Acid pKa
14.129745
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.761462
LogD (pH = 7.4)
0.7614619
Log P
0.761462
Molar Refractivity
50.538
Polarizability
20.069653
Polar Surface Area
38.69
Rotatable Bonds
0
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
References
Bioactivity
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