Molecule

ID:82411

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀Cl₂N₂O₂S
Molecular Mass
305.1803
Exact Mass
303.98400393
Charge
0
InChI
InChI=1S/C11H10Cl2N2O2S/c12-10-11(13)15(8-14-10)6-7-18(16,17)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey
BSZIKHZCPRAUTF-UHFFFAOYSA-N
Canonic Smiles
Clc1ncn(c1Cl)CCS(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(c1ccccc1)CCn1c(c(Cl)nc1)Cl
Calculated Properties
JChem
Acid pKa
18.918814
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0143435
LogD (pH = 7.4)
2.0159276
Log P
2.0159476
Molar Refractivity
72.1775
Polarizability
28.535048
Polar Surface Area
51.96
Rotatable Bonds
4
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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