Molecule

ID:37367

General Information
Structure
Molecular Formula
C₁₀H₆ClNO₂S₂
Molecular Mass
271.74314
Exact Mass
270.95284812
Charge
0
InChI
InChI=1S/C10H6ClNO2S2/c11-6-1-2-7(13)5(3-6)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)/b8-4+
InChIKey
OYUGKKNIIOTAPN-XBXARRHUSA-N
Canonic Smiles
Oc1ccc(cc1/C=C\1/SC(=NC1=O)S)Cl
Isomeric Smiles
C\1(=C/c2c(ccc(c2)Cl)O)/C(=O)N=C(S1)S
Calculated Properties
JChem
Acid pKa
5.5855904
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.7955627
LogD (pH = 7.4)
1.8977867
Log P
3.0314534
Molar Refractivity
69.4554
Polarizability
26.29323
Polar Surface Area
49.66
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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