Molecule

ID:64896

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁BrClNS
Molecular Mass
280.61234
Exact Mass
278.94841004
Charge
0
InChI
InChI=1S/C9H10BrNS.ClH/c10-7-2-1-6-4-12-5-9(11)8(6)3-7;/h1-3,9H,4-5,11H2;1H
InChIKey
DGKABSFHNFBVNU-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C(N)CSC2.Cl
Isomeric Smiles
c1(ccc2c(c1)C(CSC2)N)Br.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.57907414
LogD (pH = 7.4)
0.5960093
Log P
2.3673525
Molar Refractivity
57.5541
Polarizability
22.430124
Polar Surface Area
26.02
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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