Molecule

ID:56614

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂NOS
Molecular Mass
336.23564
Exact Mass
334.99384034
Charge
0
InChI
InChI=1S/C16H11Cl2NOS/c1-8-3-6-14(21-8)13-7-11(16(18)20)10-4-5-12(17)9(2)15(10)19-13/h3-7H,1-2H3
InChIKey
MBBRKRFJOZLRFM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl
Isomeric Smiles
c12nc(c3sc(cc3)C)cc(c1ccc(c2C)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.8953633
LogD (pH = 7.4)
5.895364
Log P
5.895364
Molar Refractivity
87.6504
Polarizability
35.691887
Polar Surface Area
29.96
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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