Molecule

ID:60007

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₂NO₂S
Molecular Mass
278.15496
Exact Mass
276.97310489
Charge
0
InChI
InChI=1S/C10H9Cl2NO2S/c11-5-1-2-6(7(12)3-5)9-13-8(4-16-9)10(14)15/h1-3,8-9,13H,4H2,(H,14,15)/t8-,9?/m1/s1
InChIKey
DYBHDSFTPGYWFY-VEDVMXKPSA-N
Canonic Smiles
OC(=O)[C@H]1CSC(N1)c1ccc(cc1Cl)Cl
Isomeric Smiles
C1(N[C@@H](C(=O)O)CS1)c1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
2.406224
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.68985444
LogD (pH = 7.4)
-0.3073046
Log P
0.8071662
Molar Refractivity
64.881
Polarizability
25.90567
Polar Surface Area
49.33
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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