Chemical ID: 4696121

COc1cccc(c1)c2c(n3ccsc3n2)C=O
Chemical ID:
4696121
Name [?]:
7-(3-methoxyphenyl)-4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-triene-8-carbaldehyde
SMILES [?]:
COc1cccc(c1)c2c(n3ccsc3n2)C=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H10N2O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.76664
Area:428.122
Solvation:-3.93641
Coulombic:-26.5634
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:258.297
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.88
LogP (Chemaxon):2.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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