Molecule

ID:56343

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClNOS
Molecular Mass
287.764
Exact Mass
287.01716263
Charge
0
InChI
InChI=1S/C15H10ClNOS/c1-9-6-7-14(19-9)13-8-11(15(16)18)10-4-2-3-5-12(10)17-13/h2-8H,1H3
InChIKey
KYQCZMFNTYBWOP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)c1nc2ccccc2c(c1)C(=O)Cl
Isomeric Smiles
c1(cc(c2sc(cc2)C)nc2c1cccc2)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7778945
LogD (pH = 7.4)
4.7778974
Log P
4.7778974
Molar Refractivity
77.8044
Polarizability
32.07871
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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