Molecule

ID:64268

General Information
Structure
MolImage
Molecular Formula
C₃HBr₂NS
Molecular Mass
242.91974
Exact Mass
240.81964404
Charge
0
InChI
InChI=1S/C3HBr2NS/c4-2-1-6-3(5)7-2/h1H
InChIKey
XIBIQFJKUZZLLX-UHFFFAOYSA-N
Canonic Smiles
Brc1ncc(s1)Br
Isomeric Smiles
s1c(ncc1Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6308537
LogD (pH = 7.4)
2.6308544
Log P
2.6308544
Molar Refractivity
35.6739
Polarizability
14.534312
Polar Surface Area
12.89
Rotatable Bonds
0
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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