Molecule

ID:42762

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrFO
Molecular Mass
203.0084632
Exact Mass
201.94295497
Charge
0
InChI
InChI=1S/C7H4BrFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
InChIKey
OUAZPCKRSSEQKB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1F)Br
Isomeric Smiles
c1(c(C=O)cccc1Br)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
14.928092
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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