Molecule

ID:112614

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉ClN₂S₂
Molecular Mass
242.83286
Exact Mass
242.0678183
Charge
0
InChI
InChI=1S/C8H18N2S2.ClH/c1-2-3-4-5-6-11-7-12-8(9)10;/h2-7H2,1H3,(H3,9,10);1H
InChIKey
NHYQMYPGOOMPDF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCSCSC(=N)N.Cl
Isomeric Smiles
Cl.CCCCCCSCSC(=N)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.70210284
LogD (pH = 7.4)
0.7877
Log P
3.1163526
Molar Refractivity
70.2199
Polarizability
23.480152
Polar Surface Area
49.87
Rotatable Bonds
8
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
No Data Available
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Molecule Details
References
Bioactivity
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