Molecule

ID:83952

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂S₂
Molecular Mass
274.40436
Exact Mass
274.05984046
Charge
0
InChI
InChI=1S/C14H14N2S2/c1-10-5-4-6-11(9-10)15-14(18)16-12-7-2-3-8-13(12)17/h2-9,17H,1H3,(H2,15,16,18)
InChIKey
FRYOZNWQIDIWIF-UHFFFAOYSA-N
Canonic Smiles
S=C(Nc1ccccc1S)Nc1cccc(c1)C
Isomeric Smiles
N(c1ccccc1S)C(=S)Nc1cc(ccc1)C
Calculated Properties
JChem
Acid pKa
6.4105844
H Acceptors
0
H Donor
3
LogD (pH = 5.5)
4.566724
LogD (pH = 7.4)
3.6484385
Log P
4.6151533
Molar Refractivity
87.0947
Polarizability
32.323475
Polar Surface Area
24.06
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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