Molecule

ID:78814

General Information
Structure
MolImage
Molecular Formula
C₃H₈BrN₃S
Molecular Mass
198.08472
Exact Mass
196.96223027
Charge
0
InChI
InChI=1S/C3H7N3S.BrH/c4-6-3-5-1-2-7-3;/h1-2,4H2,(H,5,6);1H
InChIKey
XYTRVFMNMJPWQV-UHFFFAOYSA-N
Canonic Smiles
NNC1=NCCS1.Br
Isomeric Smiles
N1=C(SCC1)NN.Br
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.1850674
LogD (pH = 7.4)
-0.7092215
Log P
-0.025716167
Molar Refractivity
42.6722
Polarizability
11.921056
Polar Surface Area
50.41
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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