Molecule

ID:35501

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂S₂
Molecular Mass
276.42024
Exact Mass
276.07549052
Charge
0
InChI
InChI=1S/C14H16N2S2/c1-9-3-5-11(15)13(7-9)17-18-14-8-10(2)4-6-12(14)16/h3-8H,15-16H2,1-2H3
InChIKey
RAQHRJVDSRBFNH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1SSc1cc(C)ccc1N)C
Isomeric Smiles
c1(SSc2c(ccc(c2)C)N)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.9360237
LogD (pH = 7.4)
3.9426508
Log P
3.942736
Molar Refractivity
81.9434
Polarizability
31.860146
Polar Surface Area
52.04
Rotatable Bonds
3
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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