Molecule

ID:37392

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂NOS₂
Molecular Mass
290.1888
Exact Mass
288.91896115
Charge
0
InChI
InChI=1S/C10H5Cl2NOS2/c11-6-3-1-2-5(8(6)12)4-7-9(14)13-10(15)16-7/h1-4H,(H,13,14,15)/b7-4+
InChIKey
JMNPBVGLEZGPIF-QPJJXVBHSA-N
Canonic Smiles
SC1=NC(=O)/C(=C\c2cccc(c2Cl)Cl)/S1
Isomeric Smiles
C\1(=C/c2c(c(ccc2)Cl)Cl)/C(=O)N=C(S1)S
Calculated Properties
JChem
Acid pKa
5.451
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6464844
LogD (pH = 7.4)
2.8542984
Log P
3.9390635
Molar Refractivity
72.2793
Polarizability
27.607088
Polar Surface Area
29.43
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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