Molecule

ID:83912

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNOS
Molecular Mass
239.7212
Exact Mass
239.01716263
Charge
0
InChI
InChI=1S/C11H10ClNOS/c12-5-11(14)13-6-8-7-15-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H,13,14)
InChIKey
MKFOUPLFHIGWEW-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NCc1csc2c1cccc2
Isomeric Smiles
s1cc(c2c1cccc2)CNC(=O)CCl
Calculated Properties
JChem
Acid pKa
13.111114
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3312294
LogD (pH = 7.4)
2.3312287
Log P
2.3312294
Molar Refractivity
62.0685
Polarizability
25.038647
Polar Surface Area
29.1
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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