Molecule

ID:92879

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNOS
Molecular Mass
237.70532
Exact Mass
237.00151256
Charge
0
InChI
InChI=1S/C11H8ClNOS/c1-7-13-10(6-15-7)8-3-2-4-9(5-8)11(12)14/h2-6H,1H3
InChIKey
HPNXILHANJPJMT-UHFFFAOYSA-N
Canonic Smiles
Cc1scc(n1)c1cccc(c1)C(=O)Cl
Isomeric Smiles
s1cc(c2cccc(c2)C(=O)Cl)nc1C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.978624
LogD (pH = 7.4)
2.9790857
Log P
2.9790916
Molar Refractivity
61.586
Polarizability
24.550623
Polar Surface Area
29.96
Rotatable Bonds
2
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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