Chemical ID: 4685136

c1ccc2c(c1)nnn2CN3CSc4c3cccc4
Chemical ID:
4685136
Name [?]:
1-(2H-benzothiazol-3-ylmethyl)benzotriazole
SMILES [?]:
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H12N4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.66459
Area:435.855
Solvation:-2.2318
Coulombic:-13.6332
Bond Count [?]
All:22
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:268.338
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.21
LogP (Chemaxon):4.54

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