Molecule

ID:91192

General Information
Structure
Molecular Formula
C₁₁H₇Cl₂NOS
Molecular Mass
272.15038
Exact Mass
270.96254021
Charge
0
InChI
InChI=1S/C11H7Cl2NOS/c1-6-9(10(13)15)16-11(14-6)7-2-4-8(12)5-3-7/h2-5H,1H3
InChIKey
BCMARAXFBBVCJE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1nc(c(s1)C(=O)Cl)C
Isomeric Smiles
n1c(c2ccc(cc2)Cl)sc(c1C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.715571
LogD (pH = 7.4)
3.7155757
Log P
3.7155757
Molar Refractivity
76.6631
Polarizability
25.833284
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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