Molecule

ID:66263

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆BrNOS
Molecular Mass
268.12974
Exact Mass
266.93534682
Charge
0
InChI
InChI=1S/C10H6BrNOS/c11-8-3-1-7(2-4-8)10-12-5-9(6-13)14-10/h1-6H
InChIKey
IIAXARYULRUREE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(s1)c1ccc(cc1)Br
Isomeric Smiles
s1c(ncc1C=O)c1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2704809
LogD (pH = 7.4)
3.270503
Log P
3.2705033
Molar Refractivity
70.3589
Polarizability
23.106869
Polar Surface Area
29.96
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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