Molecule

ID:79623

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅Cl₂NO₂S
Molecular Mass
320.2347
Exact Mass
319.02005509
Charge
0
InChI
InChI=1S/C13H15Cl2NO2S/c1-10-4-6-13(7-5-10)19(17,18)16(8-11(2)14)9-12(3)15/h4-7H,2-3,8-9H2,1H3
InChIKey
BUALFGQTFBAERF-UHFFFAOYSA-N
Canonic Smiles
ClC(=C)CN(S(=O)(=O)c1ccc(cc1)C)CC(=C)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)N(CC(=C)Cl)CC(=C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.476076
LogD (pH = 7.4)
3.476076
Log P
3.476076
Molar Refractivity
80.8083
Polarizability
31.632603
Polar Surface Area
37.38
Rotatable Bonds
5
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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