Molecule

ID:83643

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂ClNS
Molecular Mass
249.75908
Exact Mass
249.03789807
Charge
0
InChI
InChI=1S/C13H12ClNS/c1-9-5-7-10(8-6-9)16-13-11(14)3-2-4-12(13)15/h2-8H,15H2,1H3
InChIKey
SNUKATAODXKQMW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Sc1c(N)cccc1Cl
Isomeric Smiles
S(c1c(cccc1Cl)N)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.449835
LogD (pH = 7.4)
4.4505267
Log P
4.4505353
Molar Refractivity
73.2885
Polarizability
27.744562
Polar Surface Area
26.02
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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