Chemical ID: 4692865

CN1c2ccsc2C(=NNC(=O)c3ccc(cc3)Cl)CS1(=O)=O
Chemical ID:
4692865
Name [?]:
4-chloro-N-[(2-methyl-3,3-dioxo-3$l^{6},7-dithia-2-azabicyclo[4.3.0]nona-8,10-dien-5-ylidene)amino]benzamide
SMILES [?]:
CN1c2ccsc2C(=NNC(=O)c3ccc(cc3)Cl)CS1(=O)=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H12ClN3O3S2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.01216
Area:525.896
Solvation:-4.13524
Coulombic:-25.3702
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:369.848
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.11
LogP (Chemaxon):1.65

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