Molecule

ID:51098

General Information
Structure
MolImage
Molecular Formula
C₄H₁₄Cl₂N₂S₂
Molecular Mass
225.20336
Exact Mass
223.99754582
Charge
0
InChI
InChI=1S/C4H12N2S2.2ClH/c5-1-3-7-8-4-2-6;;/h1-6H2;2*1H
InChIKey
YUFRRMZSSPQMOS-UHFFFAOYSA-N
Canonic Smiles
NCCSSCCN.Cl.Cl
Isomeric Smiles
S(SCCN)CCN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-6.7485113
LogD (pH = 7.4)
-5.050597
Log P
-0.75276333
Molar Refractivity
43.212
Polarizability
17.318829
Polar Surface Area
52.04
Rotatable Bonds
5
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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