Chemical ID: 6158973

Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Nc2nc3c(s2)CCC3
Chemical ID:
6158973
Name [?]:
2-methyl-3,5-dinitro-N-(6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl)benzamide
SMILES [?]:
Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Nc2nc3c(s2)CCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H12N4O5S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-1.57622
Area:530.551
Solvation:-14.84
Coulombic:-41.5633
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:348.335
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:1.54
LogP (Chemaxon):3.1

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