Molecule

ID:78933

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀BrClOS
Molecular Mass
341.6506
Exact Mass
339.93242562
Charge
0
InChI
InChI=1S/C14H10BrClOS/c1-9-6-10(2-4-13(9)16)14(17)5-3-12-7-11(15)8-18-12/h2-8H,1H3
InChIKey
SGZVTCYTDIDUID-UHFFFAOYSA-N
Canonic Smiles
Brc1csc(c1)/C=C/C(=O)c1ccc(c(c1)C)Cl
Isomeric Smiles
s1c(cc(c1)Br)/C=C/C(=O)c1ccc(c(c1)C)Cl
Calculated Properties
JChem
Acid pKa
15.51492
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.6894255
LogD (pH = 7.4)
5.6894255
Log P
5.6894255
Molar Refractivity
81.2357
Polarizability
30.430056
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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