Molecule

ID:81002

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂S₂
Molecular Mass
276.42024
Exact Mass
276.07549052
Charge
0
InChI
InChI=1S/C14H16N2S2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2
InChIKey
BSYVFGQQLJNJJG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1SCCSc1ccccc1N
Isomeric Smiles
S(c1c(cccc1)N)CCSc1ccccc1N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8448699
LogD (pH = 7.4)
2.8540602
Log P
2.8541782
Molar Refractivity
85.472
Polarizability
32.002346
Polar Surface Area
52.04
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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