Molecule

ID:25876

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClFO₃
Molecular Mass
294.7053832
Exact Mass
294.04590014
Charge
0
InChI
InChI=1S/C15H12ClFO3/c1-19-15-5-2-10(8-18)6-11(15)9-20-12-3-4-14(17)13(16)7-12/h2-8H,9H2,1H3
InChIKey
VQWQSTGVJDBHFF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)COc1ccc(c(c1)Cl)F)OC
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)COc1cc(c(cc1)F)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8416255
LogD (pH = 7.4)
3.8416255
Log P
3.8416255
Molar Refractivity
75.2022
Polarizability
28.459127
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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