Molecule

ID:72085

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₂N₂OS
Molecular Mass
301.1916
Exact Mass
299.98908931
Charge
0
InChI
InChI=1S/C12H10Cl2N2OS/c1-7(13)11(17)16-12-15-10(6-18-12)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16,17)
InChIKey
YZUFNXGNDNBHKE-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)C)Nc1scc(n1)c1ccc(cc1)Cl
Isomeric Smiles
c1(nc(cs1)c1ccc(cc1)Cl)NC(=O)C(Cl)C
Calculated Properties
JChem
Acid pKa
10.55936
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2972236
LogD (pH = 7.4)
4.2969418
Log P
4.2972274
Molar Refractivity
74.4188
Polarizability
29.505108
Polar Surface Area
41.99
Rotatable Bonds
3
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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