Molecule

ID:83238

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl₂N₃OS
Molecular Mass
328.21694
Exact Mass
326.99998835
Charge
0
InChI
InChI=1S/C13H11Cl2N3OS/c1-18(2)7-16-13(19)10-11(20-17-12(10)15)8-5-3-4-6-9(8)14/h3-7H,1-2H3
InChIKey
LWSWRLFVVFONOV-UHFFFAOYSA-N
Canonic Smiles
CN(/C=N/C(=O)c1c(Cl)nsc1c1ccccc1Cl)C
Isomeric Smiles
s1c(c(c(n1)Cl)C(=O)/N=C/N(C)C)c1c(cccc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9628963
LogD (pH = 7.4)
2.962917
Log P
2.9629176
Molar Refractivity
83.7925
Polarizability
32.244324
Polar Surface Area
45.56
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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