Molecule

ID:26896

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO₄S
Molecular Mass
339.79396
Exact Mass
339.03320661
Charge
0
InChI
InChI=1S/C15H14ClNO4S/c1-20-10-5-3-9(4-6-10)11-8-22-14(17-12(18)7-16)13(11)15(19)21-2/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKey
VQVNYBAZRATAJB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)CCl
Isomeric Smiles
c1(c(scc1c1ccc(cc1)OC)NC(=O)CCl)C(=O)OC
Calculated Properties
JChem
Acid pKa
9.913631
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.837753
LogD (pH = 7.4)
3.8365064
Log P
3.837769
Molar Refractivity
85.5646
Polarizability
33.636143
Polar Surface Area
64.63
Rotatable Bonds
6
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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