Molecule

ID:26950

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNS
Molecular Mass
223.7218
Exact Mass
223.02224801
Charge
0
InChI
InChI=1S/C11H10ClNS/c1-8-4-2-3-5-10(8)11-13-9(6-12)7-14-11/h2-5,7H,6H2,1H3
InChIKey
QSHYGLAZPRJAEZ-UHFFFAOYSA-N
Canonic Smiles
ClCc1csc(n1)c1ccccc1C
Isomeric Smiles
c1(nc(cs1)CCl)c1c(C)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8388348
LogD (pH = 7.4)
3.8389428
Log P
3.8389442
Molar Refractivity
70.7539
Polarizability
23.794416
Polar Surface Area
12.89
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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