Molecule

ID:6932

General Information
Structure
Molecular Formula
C₈H₈BrI
Molecular Mass
310.95759
Exact Mass
309.88541026
Charge
0
InChI
InChI=1S/C8H8BrI/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
InChIKey
BSIRLLZFIVAHES-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(C)c(c(c1)C)I
Isomeric Smiles
c1(cc(c(c(c1)C)I)C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.697786
LogD (pH = 7.4)
4.697786
Log P
4.697786
Molar Refractivity
57.1257
Polarizability
21.98242
Polar Surface Area
0.0
Rotatable Bonds
0
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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