Molecule

ID:24526

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₂S
Molecular Mass
200.68846
Exact Mass
200.01749698
Charge
0
InChI
InChI=1S/C8H8N2S.ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-4H,5,9H2;1H
InChIKey
WCZDQDCFSDCIIC-UHFFFAOYSA-N
Canonic Smiles
NCc1nc2c(s1)cccc2.Cl
Isomeric Smiles
n1c(sc2c1cccc2)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8764342
LogD (pH = 7.4)
0.80079097
Log P
1.3124067
Molar Refractivity
44.9291
Polarizability
19.00728
Polar Surface Area
38.91
Rotatable Bonds
1
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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