Molecule

ID:37375

General Information
Structure
Molecular Formula
C₁₀H₅Cl₂NOS₂
Molecular Mass
290.1888
Exact Mass
288.91896115
Charge
0
InChI
InChI=1S/C10H5Cl2NOS2/c11-6-2-1-5(3-7(6)12)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)/b8-4+
InChIKey
ZLJFJFLVZUHVOW-XBXARRHUSA-N
Canonic Smiles
SC1=NC(=O)/C(=C\c2ccc(c(c2)Cl)Cl)/S1
Isomeric Smiles
C\1(=C/c2cc(c(cc2)Cl)Cl)/C(=O)N=C(S1)S
Calculated Properties
JChem
Acid pKa
5.4463806
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6443841
LogD (pH = 7.4)
2.8537278
Log P
3.9390635
Molar Refractivity
72.2793
Polarizability
27.600569
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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