Molecule

ID:88563

General Information
Structure
MolImage
Molecular Formula
C₃H₂BrNS
Molecular Mass
164.02368
Exact Mass
162.90913207
Charge
0
InChI
InChI=1S/C3H2BrNS/c4-3-1-2-6-5-3/h1-2H
InChIKey
OTNWEAKNUYQUKP-UHFFFAOYSA-N
Canonic Smiles
Brc1ccsn1
Isomeric Smiles
s1nc(cc1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9171325
LogD (pH = 7.4)
1.9171339
Log P
1.9171339
Molar Refractivity
30.464
Polarizability
11.257833
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
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References
Bioactivity
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