Molecule

ID:13856

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀BrNOS
Molecular Mass
200.0973
Exact Mass
198.96664695
Charge
0
InChI
InChI=1S/C4H9NOS.BrH/c5-3-1-7-2-4(3)6;/h3-4,6H,1-2,5H2;1H
InChIKey
SACQVQVPKSITHY-UHFFFAOYSA-N
Canonic Smiles
OC1CSCC1N.Br
Isomeric Smiles
C1(C(CSC1)O)N.Br
Calculated Properties
JChem
Acid pKa
14.24829
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.8206418
LogD (pH = 7.4)
-2.864839
Log P
-0.83486795
Molar Refractivity
30.9116
Polarizability
12.584551
Polar Surface Area
46.25
Rotatable Bonds
0
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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