Molecule

ID:8436

General Information
Structure
MolImage
Molecular Formula
C₃H₄BrNS
Molecular Mass
166.03956
Exact Mass
164.92478213
Charge
0
InChI
InChI=1S/C3H4BrNS/c4-1-2-5-3-6/h1-2H2
InChIKey
SGJVENMTWFTZOJ-UHFFFAOYSA-N
Canonic Smiles
BrCCN=C=S
Isomeric Smiles
C(CN=C=S)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9196352
LogD (pH = 7.4)
1.9196352
Log P
1.9196352
Molar Refractivity
33.6559
Polarizability
12.902672
Polar Surface Area
12.36
Rotatable Bonds
2
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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