Molecule

ID:11342

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClNOS
Molecular Mass
289.77988
Exact Mass
289.03281269
Charge
0
InChI
InChI=1S/C15H12ClNOS/c1-10(16)15(18)17-11-6-2-4-8-13(11)19-14-9-5-3-7-12(14)17/h2-10H,1H3
InChIKey
NFDHJLPQTVVBOU-UHFFFAOYSA-N
Canonic Smiles
O=C(N1c2ccccc2Sc2c1cccc2)C(Cl)C
Isomeric Smiles
N1(C(=O)C(Cl)C)c2c(Sc3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
16.398642
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0545926
LogD (pH = 7.4)
4.0545926
Log P
4.0545926
Molar Refractivity
79.6877
Polarizability
30.753414
Polar Surface Area
20.31
Rotatable Bonds
1
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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