Molecule

ID:77763

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrNOS
Molecular Mass
204.04448
Exact Mass
202.90404669
Charge
0
InChI
InChI=1S/C5H2BrNOS/c6-4-1-9-2-5(4)7-3-8/h1-2H
InChIKey
HVJDEHSHJHNENX-UHFFFAOYSA-N
Canonic Smiles
Brc1cscc1N=C=O
Isomeric Smiles
s1cc(c(c1)Br)N=C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.431996
LogD (pH = 7.4)
2.431996
Log P
2.431996
Molar Refractivity
39.8586
Polarizability
14.439283
Polar Surface Area
29.43
Rotatable Bonds
1
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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