Molecule

ID:56783

General Information
Structure
MolImage
Molecular Formula
C₈H₈BrClOS
Molecular Mass
267.57052
Exact Mass
265.91677556
Charge
0
InChI
InChI=1S/C8H8BrClOS/c1-2-3-6-5(9)4-7(12-6)8(10)11/h4H,2-3H2,1H3
InChIKey
QEMUVXWVKNPQJG-UHFFFAOYSA-N
Canonic Smiles
CCCc1sc(cc1Br)C(=O)Cl
Isomeric Smiles
c1(sc(c(c1)Br)CCC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3807907
LogD (pH = 7.4)
4.3807907
Log P
4.3807907
Molar Refractivity
55.8667
Polarizability
21.216648
Polar Surface Area
17.07
Rotatable Bonds
3
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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