Molecule

ID:8731

General Information
Structure
MolImage
Molecular Formula
C₄H₅Br₂NS
Molecular Mass
258.9622
Exact Mass
256.85094417
Charge
0
InChI
InChI=1S/C4H5Br2NS/c5-1-4(6)2-7-3-8/h4H,1-2H2
InChIKey
AFQQAAKQKFCSPQ-UHFFFAOYSA-N
Canonic Smiles
BrC(CBr)CN=C=S
Isomeric Smiles
C(N=C=S)C(CBr)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8293874
LogD (pH = 7.4)
2.8293874
Log P
2.8293874
Molar Refractivity
45.6529
Polarizability
17.725998
Polar Surface Area
12.36
Rotatable Bonds
3
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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