Molecule

ID:59164

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNOS
Molecular Mass
185.63076
Exact Mass
184.97021243
Charge
0
InChI
InChI=1S/C7H4ClNOS/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,(H,9,11)
InChIKey
XXRDNTGJMQMSLW-UHFFFAOYSA-N
Canonic Smiles
Sc1nc2c(o1)c(Cl)ccc2
Isomeric Smiles
n1c(oc2c1cccc2Cl)S
Calculated Properties
JChem
Acid pKa
6.599586
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.669433
LogD (pH = 7.4)
1.9293774
Log P
2.7013674
Molar Refractivity
45.011
Polarizability
18.801872
Polar Surface Area
26.03
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
References
Bioactivity
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