Chemical ID: 6129222

c1ccc2c(c1)C(=O)N(S2(=O)=O)CCn3c4ccccc4nn3
Chemical ID:
6129222
Name [?]:
8-(2-benzotriazol-1-ylethyl)-9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-7-one
SMILES [?]:
c1ccc2c(c1)C(=O)N(S2(=O)=O)CCn3c4ccccc4nn3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H12N4O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.49128
Area:500.993
Solvation:-3.03355
Coulombic:-22.6765
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:328.347
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.33
LogP (Chemaxon):1.91

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