Molecule

ID:66881

General Information
Structure
MolImage
Molecular Formula
C₄HBrN₂S
Molecular Mass
189.03314
Exact Mass
187.90438104
Charge
0
InChI
InChI=1S/C4HBrN2S/c5-4-7-2-3(1-6)8-4/h2H
InChIKey
RCVDPJMWWCIVJV-UHFFFAOYSA-N
Canonic Smiles
Brc1ncc(s1)C#N
Isomeric Smiles
s1c(ncc1C#N)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6846412
LogD (pH = 7.4)
1.6846414
Log P
1.6846414
Molar Refractivity
34.3969
Polarizability
13.164192
Polar Surface Area
36.68
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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