Molecule

ID:37362

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂OS₂
Molecular Mass
292.41964
Exact Mass
292.07040514
Charge
0
InChI
InChI=1S/C14H16N2OS2/c1-3-16(4-2)11-7-5-10(6-8-11)9-12-13(17)15-14(18)19-12/h5-9H,3-4H2,1-2H3,(H,15,17,18)/b12-9+
InChIKey
CWQLQYNQWCTDQF-FMIVXFBMSA-N
Canonic Smiles
CCN(c1ccc(cc1)/C=C\1/SC(=NC1=O)S)CC
Isomeric Smiles
C\1(=C/c2ccc(cc2)N(CC)CC)/C(=O)N=C(S1)S
Calculated Properties
JChem
Acid pKa
6.0936046
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3161197
LogD (pH = 7.4)
2.6139874
Log P
3.281305
Molar Refractivity
86.5955
Polarizability
32.29247
Polar Surface Area
32.67
Rotatable Bonds
4
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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