Molecule

ID:51343

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀Cl₂N₂S₂
Molecular Mass
303.3152
Exact Mass
302.04449601
Charge
0
InChI
InChI=1S/C10H18N2S2.2ClH/c1-2-10(12-6-8-14-10)4-3-9(1)11-5-7-13-9;;/h11-12H,1-8H2;2*1H
InChIKey
XDDMPIDQIKBPJL-UHFFFAOYSA-N
Canonic Smiles
C1CSC2(N1)CCC1(CC2)NCCS1.Cl.Cl
Isomeric Smiles
C12(NCCS1)CCC1(NCCS1)CC2.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.8541594
LogD (pH = 7.4)
-1.968589
Log P
1.2504228
Molar Refractivity
65.2098
Polarizability
26.154655
Polar Surface Area
24.06
Rotatable Bonds
0
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
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References
Bioactivity
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