Molecule

ID:83249

General Information
Structure
MolImage
Molecular Formula
C₉H₄BrClOS
Molecular Mass
275.54946
Exact Mass
273.88547543
Charge
0
InChI
InChI=1S/C9H4BrClOS/c10-9-7(4-12)6-3-5(11)1-2-8(6)13-9/h1-4H
InChIKey
IQQNHUYKNRMBTL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Br)sc2c1cc(Cl)cc2
Isomeric Smiles
s1c(c(c2cc(ccc12)Cl)C=O)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1005664
LogD (pH = 7.4)
4.1005664
Log P
4.1005664
Molar Refractivity
57.5696
Polarizability
23.154596
Polar Surface Area
17.07
Rotatable Bonds
1
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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