Molecule

ID:25764

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂O₃S
Molecular Mass
277.12384
Exact Mass
275.94147041
Charge
0
InChI
InChI=1S/C10H6Cl2O3S/c1-15-5-3-2-4-6(11)9(10(13)14)16-8(4)7(5)12/h2-3H,1H3,(H,13,14)
InChIKey
VSTRNRLKTOVPGN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1Cl)sc(c2Cl)C(=O)O
Isomeric Smiles
c1(sc2c(c1Cl)ccc(c2Cl)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2227504
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4338163
LogD (pH = 7.4)
0.24835718
Log P
3.689711
Molar Refractivity
62.5112
Polarizability
25.287579
Polar Surface Area
46.53
Rotatable Bonds
2
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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