Molecule

ID:27073

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)10-7-11(9-5-3-2-4-6-9)20-13(10)16-12(17)8-15/h2-7H,8H2,1H3,(H,16,17)
InChIKey
AFBVMBQTWCUUHF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(sc1NC(=O)CCl)c1ccccc1
Isomeric Smiles
c1(c(cc(s1)c1ccccc1)C(=O)OC)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
9.954338
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.992132
LogD (pH = 7.4)
3.9909966
Log P
3.9921463
Molar Refractivity
78.8855
Polarizability
31.102938
Polar Surface Area
55.4
Rotatable Bonds
5
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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