Molecule

ID:66679

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂NS
Molecular Mass
204.07642
Exact Mass
202.93632546
Charge
0
InChI
InChI=1S/C7H3Cl2NS/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H
InChIKey
JJWANONAOYNRME-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2c(s1)cccc2Cl
Isomeric Smiles
s1c(nc2c1cccc2Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6315305
LogD (pH = 7.4)
3.6315308
Log P
3.6315308
Molar Refractivity
46.9594
Polarizability
19.525139
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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