Molecule

ID:95571

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇BrF₂O₃
Molecular Mass
341.1043864
Exact Mass
339.95466252
Charge
0
InChI
InChI=1S/C14H7BrF2O3/c15-9-4-5-12(8(6-9)7-18)20-14(19)13-10(16)2-1-3-11(13)17/h1-7H
InChIKey
JFTRVCCKOIXJMN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)ccc1OC(=O)c1c(F)cccc1F
Isomeric Smiles
O(c1c(cc(cc1)Br)C=O)C(=O)c1c(cccc1F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.40134
LogD (pH = 7.4)
4.40134
Log P
4.40134
Molar Refractivity
72.5005
Polarizability
26.826303
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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