Molecule

ID:66828

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂OS
Molecular Mass
204.67716
Exact Mass
204.0124116
Charge
0
InChI
InChI=1S/C7H9ClN2OS/c8-6-5-12-7(9-6)10-1-3-11-4-2-10/h5H,1-4H2
InChIKey
MTZAHLFTBUJSIJ-UHFFFAOYSA-N
Canonic Smiles
Clc1csc(n1)N1CCOCC1
Isomeric Smiles
N1(CCOCC1)c1scc(n1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0300488
LogD (pH = 7.4)
2.0300539
Log P
2.0300539
Molar Refractivity
50.1089
Polarizability
18.633734
Polar Surface Area
25.36
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
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Molecule Details
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References
Bioactivity
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