Molecule

ID:84235

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₂N₂OS
Molecular Mass
287.16502
Exact Mass
285.97343925
Charge
0
InChI
InChI=1S/C11H8Cl2N2OS/c1-5-8(11(14)17)10(15-16-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H2,14,17)
InChIKey
ABHZSCLGDWVDOY-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1c1noc(c1C(=S)N)C)Cl
Isomeric Smiles
n1c(c2c(cccc2Cl)Cl)c(c(o1)C)C(=S)N
Calculated Properties
JChem
Acid pKa
9.864233
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5190437
LogD (pH = 7.4)
3.520352
Log P
3.5190275
Molar Refractivity
74.0928
Polarizability
29.008411
Polar Surface Area
52.05
Rotatable Bonds
1
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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