Molecule

ID:81591

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClNO₃S
Molecular Mass
309.76798
Exact Mass
309.02264193
Charge
0
InChI
InChI=1S/C14H12ClNO3S/c1-19-14(18)13-10(16-12(17)8-15)7-11(20-13)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,16,17)
InChIKey
OEKQSDGOAWPMAY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(cc1NC(=O)CCl)c1ccccc1
Isomeric Smiles
s1c(c(cc1c1ccccc1)NC(=O)CCl)C(=O)OC
Calculated Properties
JChem
Acid pKa
11.31489
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.958589
LogD (pH = 7.4)
3.9585395
Log P
3.9585898
Molar Refractivity
79.5097
Polarizability
31.10031
Polar Surface Area
55.4
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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