Molecule

ID:40053

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c1-16-12-6-8-13(9-7-12)17-14-5-3-2-4-11(14)10-15/h2-10H,1H3
InChIKey
ZPGJUBFCROCTOT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Oc1ccccc1C=O
Isomeric Smiles
c1(c(C=O)cccc1)Oc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0283642
LogD (pH = 7.4)
3.0283642
Log P
3.0283642
Molar Refractivity
65.346
Polarizability
25.065744
Polar Surface Area
35.53
Rotatable Bonds
4
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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