Chemical ID: 6274636

C=CCn1c2ccc(cc2sc1=NC(=O)C=Cc3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
6274636
Name [?]:
N-(3-allyl-6-nitro-benzothiazol-2-ylidene)-3-(4-nitrophenyl)-prop-2-enamide
SMILES [?]:
C=CCn1c2ccc(cc2sc1=NC(=O)C=Cc3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H14N4O5S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:1.62484
Area:594.876
Solvation:-13.2471
Coulombic:-48.0349
Bond Count [?]
All:31
Single:19
Double:12
Rotors:7
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:410.404
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:4.27
LogP (Chemaxon):5.86

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