Molecule

ID:56377

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₂NOS
Molecular Mass
322.20906
Exact Mass
320.97819027
Charge
0
InChI
InChI=1S/C15H9Cl2NOS/c1-8-2-3-11-9(6-8)10(15(17)19)7-12(18-11)13-4-5-14(16)20-13/h2-7H,1H3
InChIKey
SMBWXAHJFXRFAP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(cc(n2)c1ccc(s1)Cl)C(=O)Cl
Isomeric Smiles
c1(c2c(nc(c3sc(cc3)Cl)c1)ccc(c2)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.4154983
LogD (pH = 7.4)
5.4154987
Log P
5.4154987
Molar Refractivity
81.754
Polarizability
33.986126
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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