Molecule

ID:27147

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂OS
Molecular Mass
240.70926
Exact Mass
240.0124116
Charge
0
InChI
InChI=1S/C10H9ClN2OS/c1-5-2-3-6-7(4-5)15-9(8(6)11)10(14)13-12/h2-4H,12H2,1H3,(H,13,14)
InChIKey
UGHMCPQAYIDWES-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1sc2c(c1Cl)ccc(c2)C
Isomeric Smiles
c1(sc2c(c1Cl)ccc(c2)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.80694
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.6528227
LogD (pH = 7.4)
2.6533327
Log P
2.6533408
Molar Refractivity
62.5907
Polarizability
24.444208
Polar Surface Area
55.12
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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