Molecule
ID:113045
General Information
Molecular Formula
C₈H₈BrF
Molecular Mass
203.0515232
Exact Mass
201.97934048
Charge
0
InChI
InChI=1S/C8H8BrF/c1-2-6-3-4-7(9)5-8(6)10/h3-5H,2H2,1H3
InChIKey
DRYFVMRQRVFHOH-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1F)Br
Isomeric Smiles
c1(cc(ccc1CC)Br)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8426905
LogD (pH = 7.4)
3.8426905
Log P
3.8426905
Molar Refractivity
43.5394
Polarizability
16.465624
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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