Molecule

ID:67666

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrNS
Molecular Mass
214.08236
Exact Mass
212.92478213
Charge
0
InChI
InChI=1S/C7H4BrNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChIKey
DRLMMVPCYXFPEP-UHFFFAOYSA-N
Canonic Smiles
Brc1nc2c(s1)cccc2
Isomeric Smiles
s1c(nc2c1cccc2)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1775365
LogD (pH = 7.4)
3.1775389
Log P
3.1775389
Molar Refractivity
44.7535
Polarizability
18.4799
Polar Surface Area
12.89
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
References
Bioactivity
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