Molecule

ID:64944

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrClNS
Molecular Mass
292.62304
Exact Mass
290.94841004
Charge
0
InChI
InChI=1S/C10H10BrNS.ClH/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6H,3-4,12H2;1H
InChIKey
OEAWWTFUTOCGLS-UHFFFAOYSA-N
Canonic Smiles
NCCc1csc2c1cc(Br)cc2.Cl
Isomeric Smiles
c1(ccc2scc(c2c1)CCN)Br.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.030175995
LogD (pH = 7.4)
0.8327821
Log P
3.0324528
Molar Refractivity
60.2493
Polarizability
24.304262
Polar Surface Area
26.02
Rotatable Bonds
2
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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