Molecule

ID:57137

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆ClNOS
Molecular Mass
329.84374
Exact Mass
329.06411282
Charge
0
InChI
InChI=1S/C18H16ClNOS/c1-4-12-6-8-16(22-12)15-9-14(18(19)21)13-7-5-10(2)11(3)17(13)20-15/h5-9H,4H2,1-3H3
InChIKey
YNPJPFWFRBPMNG-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(s1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)C
Isomeric Smiles
c1c(c(c2c(c1)c(cc(n2)c1ccc(s1)CC)C(=O)Cl)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.249302
LogD (pH = 7.4)
6.249309
Log P
6.249309
Molar Refractivity
92.4108
Polarizability
37.453724
Polar Surface Area
29.96
Rotatable Bonds
3
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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