Chemical ID: 3968696

COc1cc(ccc1c2[nH]c3c(n2)cccn3)S(=O)C
Chemical ID:
3968696
Name [?]:
8-(2-methoxy-4-methylsulfinyl-phenyl)-2,7,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene
SMILES [?]:
COc1cc(ccc1c2[nH]c3c(n2)cccn3)S(=O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H13N3O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.98534
Area:465.28
Solvation:-4.64666
Coulombic:-31.9118
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.338
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.37
LogP (Chemaxon):1.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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