Molecule

ID:101235

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNS
Molecular Mass
209.69522
Exact Mass
209.00659794
Charge
0
InChI
InChI=1S/C10H8ClNS/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-6H,7H2
InChIKey
BFAWMDHRKPPXSO-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)c1nccs1
Isomeric Smiles
c1(nccs1)c1ccc(cc1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2435257
LogD (pH = 7.4)
3.2440443
Log P
3.244051
Molar Refractivity
66.2349
Polarizability
22.027657
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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