Molecule

ID:72377

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀ClNO₃S
Molecular Mass
329.8422
Exact Mass
329.08524219
Charge
0
InChI
InChI=1S/C15H20ClNO3S/c1-3-20-15(19)12-10-7-5-4-6-8-11(10)21-14(12)17-13(18)9(2)16/h9H,3-8H2,1-2H3,(H,17,18)
InChIKey
FCOSMKNRFHIRSI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(NC(=O)C(Cl)C)sc2c1CCCCC2
Isomeric Smiles
c1(c(c2c(s1)CCCCC2)C(=O)OCC)NC(=O)C(Cl)C
Calculated Properties
JChem
Acid pKa
9.983518
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.3030357
LogD (pH = 7.4)
5.3019743
Log P
5.3030496
Molar Refractivity
85.229
Polarizability
32.221695
Polar Surface Area
55.4
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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