Molecule

ID:23988

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClNS
Molecular Mass
187.6897
Exact Mass
187.02224801
Charge
0
InChI
InChI=1S/C8H9NS.ClH/c1-2-4-8-7(3-1)9-5-6-10-8;/h1-4,9H,5-6H2;1H
InChIKey
QGKOQTWJEFPXNV-UHFFFAOYSA-N
Canonic Smiles
C1CNc2c(S1)cccc2.Cl
Isomeric Smiles
N1c2c(SCC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6303296
LogD (pH = 7.4)
1.6428685
Log P
1.6430308
Molar Refractivity
47.2449
Polarizability
17.477505
Polar Surface Area
12.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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