Molecule

ID:26469

General Information
Structure
Molecular Formula
C₁₄H₁₄ClNO₂S
Molecular Mass
295.78446
Exact Mass
295.04337737
Charge
0
InChI
InChI=1S/C14H14ClNO2S/c1-3-18-14(17)12-11(8(2)19-13(12)16)9-4-6-10(15)7-5-9/h4-7H,3,16H2,1-2H3
InChIKey
PJCFNTKRSCPMFG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)sc(c1c1ccc(cc1)Cl)C
Isomeric Smiles
c1(c(sc(c1c1ccc(cc1)Cl)C)N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
18.506365
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9981737
LogD (pH = 7.4)
4.9981737
Log P
4.9981737
Molar Refractivity
78.7953
Polarizability
30.963894
Polar Surface Area
52.32
Rotatable Bonds
4
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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