Molecule

ID:55604

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNS
Molecular Mass
213.72698
Exact Mass
213.03789807
Charge
0
InChI
InChI=1S/C10H11NS.ClH/c11-6-5-9-7-8-3-1-2-4-10(8)12-9;/h1-4,7H,5-6,11H2;1H
InChIKey
MDVGWALDUKSYTI-UHFFFAOYSA-N
Canonic Smiles
NCCc1cc2c(s1)cccc2.Cl
Isomeric Smiles
s1c(cc2c1cccc2)CCN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.5989511
LogD (pH = 7.4)
0.27792478
Log P
2.3961396
Molar Refractivity
52.521
Polarizability
21.675783
Polar Surface Area
26.02
Rotatable Bonds
2
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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