Molecule

ID:36740

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀Cl₂N₂OS
Molecular Mass
349.2344
Exact Mass
347.98908931
Charge
0
InChI
InChI=1S/C16H10Cl2N2OS/c17-12-8-4-5-10(14(12)18)9-13-15(21)20(16(22)19-13)11-6-2-1-3-7-11/h1-9H,(H,19,22)/b13-9+
InChIKey
CYWJPGHLXFJPMQ-UKTHLTGXSA-N
Canonic Smiles
SC1=N/C(=C/c2cccc(c2Cl)Cl)/C(=O)N1c1ccccc1
Isomeric Smiles
N1(C(=N/C(=C/c2c(c(Cl)ccc2)Cl)/C1=O)S)c1ccccc1
Calculated Properties
JChem
Acid pKa
5.7744145
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9315004
LogD (pH = 7.4)
4.0707726
Log P
5.100345
Molar Refractivity
92.6601
Polarizability
35.17919
Polar Surface Area
32.67
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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