Chemical ID: 4969772

c1cnccc1c2c(n3ccsc3n2)C=O
Chemical ID:
4969772
Name [?]:
7-(4-pyridyl)-4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-triene-8-carbaldehyde
SMILES [?]:
c1cnccc1c2c(n3ccsc3n2)C=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H7N3OS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.469
Area:387.827
Solvation:-3.22668
Coulombic:-22.9323
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:229.259
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.71
LogP (Chemaxon):1.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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