Molecule

ID:13788

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrFO
Molecular Mass
203.0084632
Exact Mass
201.94295497
Charge
0
InChI
InChI=1S/C7H4BrFO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
InChIKey
OPZDXMCOWFPQPE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1Br)F
Isomeric Smiles
c1c(cc(c(c1)C=O)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5972028
LogD (pH = 7.4)
2.5972028
Log P
2.5972028
Molar Refractivity
40.4812
Polarizability
14.92234
Polar Surface Area
17.07
Rotatable Bonds
1
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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