Chemical ID: 4596150

COc1c2c(ncn1)SCC(=O)N2
Chemical ID:
4596150
Name [?]:
10-methoxy-5-thia-2,7,9-triazabicyclo[4.4.0]deca-7,9,11-trien-3-one
SMILES [?]:
COc1c2c(ncn1)SCC(=O)N2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C7H7N3O2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.7734
Area:338.152
Solvation:-2.68039
Coulombic:-39.4513
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:197.215
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.35
LogP (Chemaxon):0.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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