Molecule

ID:96191

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Br₂F
Molecular Mass
317.9796832
Exact Mass
315.88985244
Charge
0
InChI
InChI=1S/C11H7Br2F/c12-6-8-2-1-7-5-9(14)3-4-10(7)11(8)13/h1-5H,6H2
InChIKey
HKVCFWDGTSUHCI-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc2c(c1Br)ccc(c2)F
Isomeric Smiles
Brc1c(ccc2cc(ccc12)F)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6469145
LogD (pH = 7.4)
4.6469145
Log P
4.6469145
Molar Refractivity
63.1978
Polarizability
24.890697
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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