Molecule

ID:9926

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c16-15(17)10-13-8-4-5-9-14(13)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)
InChIKey
VFYKRBZHJFJOGQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccccc1OCc1ccccc1
Isomeric Smiles
OC(=O)Cc1ccccc1OCc1ccccc1
Calculated Properties
JChem
Acid pKa
4.189183
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8488679
LogD (pH = 7.4)
0.1370086
Log P
3.177796
Molar Refractivity
68.4414
Polarizability
26.624
Polar Surface Area
46.53
Rotatable Bonds
5
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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