Chemical ID: 5099739

c1ccc(cc1)CSc2c(c3n[nH]c(=O)n3cn2)N
Chemical ID:
5099739
Name [?]:
2-amino-3-benzylsulfanyl-4,6,8,9-tetrazabicyclo[4.3.0]nona-2,4,9-trien-7-one
SMILES [?]:
c1ccc(cc1)CSc2c(c3n[nH]c(=O)n3cn2)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H11N5OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.27973
Area:450.475
Solvation:-1.98215
Coulombic:-53.4119
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:273.315
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.55
LogP (Chemaxon):2.12

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue