Molecule

ID:64098

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClNS
Molecular Mass
175.679
Exact Mass
175.02224801
Charge
0
InChI
InChI=1S/C7H10ClNS/c1-5(2)7-9-6(3-8)4-10-7/h4-5H,3H2,1-2H3
InChIKey
YGTDRZIMYRYHHD-UHFFFAOYSA-N
Canonic Smiles
ClCc1csc(n1)C(C)C
Isomeric Smiles
n1c(scc1CCl)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6667454
LogD (pH = 7.4)
2.667332
Log P
2.6673393
Molar Refractivity
44.2532
Polarizability
17.240047
Polar Surface Area
12.89
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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