Molecule

ID:7914

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrNS
Molecular Mass
214.08236
Exact Mass
212.92478213
Charge
0
InChI
InChI=1S/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey
ZMGMGHNOACSMQN-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1cccc(c1)Br
Isomeric Smiles
c1cc(cc(c1)N=C=S)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7638226
LogD (pH = 7.4)
3.7638237
Log P
3.7638237
Molar Refractivity
50.7437
Polarizability
18.758884
Polar Surface Area
12.36
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
No Data Available
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Molecule Details
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References
Bioactivity
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