Chemical ID: 6276308

C#CCn1c2ccc(cc2sc1=NC(=O)c3cc(cc(c3)Cl)Cl)[N+](=O)[O-]
Chemical ID:
6276308
Name [?]:
3,5-dichloro-N-(6-nitro-3-prop-2-ynyl-benzothiazol-2-ylidene)-benzamide
SMILES [?]:
C#CCn1c2ccc(cc2sc1=NC(=O)c3cc(cc(c3)Cl)Cl)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H9Cl2N3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:6.70542
Area:588.396
Solvation:-8.00447
Coulombic:-36.8404
Bond Count [?]
All:28
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:406.243
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.13
LogP (Chemaxon):5.89

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