Molecule
ID:93405
General Information
Molecular Formula
C₇H₂Br₂ClFO
Molecular Mass
316.3495832
Exact Mass
313.81449458
Charge
0
InChI
InChI=1S/C7H2Br2ClFO/c8-3-1-4(7(10)12)6(11)5(9)2-3/h1-2H
InChIKey
QJGWDMJYFVQSSW-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(c(c1)C(=O)Cl)F
Isomeric Smiles
ClC(=O)c1c(c(cc(c1)Br)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8443656
LogD (pH = 7.4)
3.8443656
Log P
3.8443656
Molar Refractivity
52.6347
Polarizability
20.110546
Polar Surface Area
17.07
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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