Molecule

ID:91885

General Information
Structure
MolImage
Molecular Formula
C₅H₇BrClNS
Molecular Mass
228.53778
Exact Mass
226.91710991
Charge
0
InChI
InChI=1S/C5H6BrNS.ClH/c6-5-4(3-7)1-2-8-5;/h1-2H,3,7H2;1H
InChIKey
RPJGSRWWVZLZBM-UHFFFAOYSA-N
Canonic Smiles
NCc1ccsc1Br.Cl
Isomeric Smiles
s1ccc(c1Br)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0680966
LogD (pH = 7.4)
0.29977408
Log P
1.8142048
Molar Refractivity
38.4199
Polarizability
15.275476
Polar Surface Area
26.02
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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