Molecule

ID:85181

General Information
Structure
MolImage
Molecular Formula
C₂₆H₁₈N₄S₂
Molecular Mass
450.57792
Exact Mass
450.0972886
Charge
0
InChI
InChI=1S/C26H18N4S2/c1-3-11-19(12-4-1)23-25(29-17-9-7-15-21(29)27-23)31-32-26-24(20-13-5-2-6-14-20)28-22-16-8-10-18-30(22)26/h1-18H
InChIKey
FGUOSEBBFNNWQO-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1nc2n(c1SSc1c(nc3n1cccc3)c1ccccc1)cccc2
Isomeric Smiles
n12c(c(c3ccccc3)nc1cccc2)SSc1c(c2ccccc2)nc2n1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.324183
LogD (pH = 7.4)
6.390208
Log P
6.3910856
Molar Refractivity
130.252
Polarizability
54.022945
Polar Surface Area
34.6
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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