Molecule

ID:28383

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂F₂O₃
Molecular Mass
278.2507864
Exact Mass
278.07545068
Charge
0
InChI
InChI=1S/C15H12F2O3/c1-19-15(18)12-5-3-2-4-10(12)9-20-14-7-6-11(16)8-13(14)17/h2-8H,9H2,1H3
InChIKey
YCRZYTQLKHDKCW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1COc1ccc(cc1F)F
Isomeric Smiles
C(=O)(c1c(COc2c(cc(cc2)F)F)cccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8289285
LogD (pH = 7.4)
3.8289285
Log P
3.8289285
Molar Refractivity
69.5919
Polarizability
26.25976
Polar Surface Area
35.53
Rotatable Bonds
5
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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