Molecule

ID:35502

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂S₂
Molecular Mass
304.4734
Exact Mass
304.10679065
Charge
0
InChI
InChI=1S/C16H20N2S2/c1-3-11-5-7-13(17)15(9-11)19-20-16-10-12(4-2)6-8-14(16)18/h5-10H,3-4,17-18H2,1-2H3
InChIKey
YSCMDXQRKZBZFR-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(c(c1)SSc1cc(CC)ccc1N)N
Isomeric Smiles
c1(SSc2c(ccc(c2)CC)N)c(ccc(c1)CC)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.8254952
LogD (pH = 7.4)
4.8317924
Log P
4.831873
Molar Refractivity
91.1454
Polarizability
35.55001
Polar Surface Area
52.04
Rotatable Bonds
5
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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