Molecule

ID:53261

General Information
Structure
Molecular Formula
C₆H₉ClN₂S₂
Molecular Mass
208.73206
Exact Mass
207.98956798
Charge
0
InChI
InChI=1S/C6H9ClN2S2/c1-2-3-4-10-6-8-5(7)9-11-6/h2-4H2,1H3
InChIKey
PHIWHXONOUBGAH-UHFFFAOYSA-N
Canonic Smiles
CCCCSc1nc(ns1)Cl
Isomeric Smiles
c1(nc(ns1)Cl)SCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.774183
LogD (pH = 7.4)
3.774183
Log P
3.774183
Molar Refractivity
52.7333
Polarizability
19.776022
Polar Surface Area
25.78
Rotatable Bonds
4
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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