Molecule

ID:86385

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClN₃O₄S
Molecular Mass
359.82842
Exact Mass
359.07065475
Charge
0
InChI
InChI=1S/C14H18ClN3O4S/c1-14(2,9-15)13-16-12(17-21-13)10-5-7-11(8-6-10)22-23(19,20)18(3)4/h5-8H,9H2,1-4H3
InChIKey
GJAXJMGUUTZSJO-UHFFFAOYSA-N
Canonic Smiles
ClCC(c1onc(n1)c1ccc(cc1)OS(=O)(=O)N(C)C)(C)C
Isomeric Smiles
S(=O)(=O)(Oc1ccc(cc1)c1noc(n1)C(CCl)(C)C)N(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.4156263
LogD (pH = 7.4)
3.4156263
Log P
3.4156263
Molar Refractivity
98.3555
Polarizability
34.593174
Polar Surface Area
85.53
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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