Molecule

ID:53262

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂S₂
Molecular Mass
242.74828
Exact Mass
241.97391791
Charge
0
InChI
InChI=1S/C9H7ClN2S2/c10-8-11-9(14-12-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
YXAXEKHYAISKGO-UHFFFAOYSA-N
Canonic Smiles
Clc1nsc(n1)SCc1ccccc1
Isomeric Smiles
c1(nc(ns1)Cl)SCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.174757
LogD (pH = 7.4)
4.174757
Log P
4.174757
Molar Refractivity
63.4723
Polarizability
23.80203
Polar Surface Area
25.78
Rotatable Bonds
3
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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