Molecule

ID:9110

General Information
Structure
Molecular Formula
C₇H₅BrF₂
Molecular Mass
207.0154064
Exact Mass
205.9542686
Charge
0
InChI
InChI=1S/C7H5BrF2/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
InChIKey
KVSVNRFSKRFPIL-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(F)cc(c1)F
Isomeric Smiles
BrCc1cc(cc(c1)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.031387
LogD (pH = 7.4)
3.031387
Log P
3.031387
Molar Refractivity
39.3412
Polarizability
14.545488
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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