Molecule

ID:27685

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₂S₂
Molecular Mass
316.39798
Exact Mass
316.03401963
Charge
0
InChI
InChI=1S/C15H12N2O2S2/c18-21(19,14-7-5-13(6-8-14)16-11-20)17-10-9-12-3-1-2-4-15(12)17/h1-8H,9-10H2
InChIKey
QDJAXTIEEMHTMF-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)N1CCc2c1cccc2
Isomeric Smiles
S(=O)(=O)(N1c2c(CC1)cccc2)c1ccc(N=C=S)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7463005
LogD (pH = 7.4)
3.746301
Log P
3.746301
Molar Refractivity
88.1594
Polarizability
33.830254
Polar Surface Area
49.74
Rotatable Bonds
2
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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