Chemical ID: 5801768

c1ccc(c(c1)C(=O)Nc2nnc(s2)c3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
5801768
Name [?]:
2-nitro-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2nnc(s2)c3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H9N5O5S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-1.43299
Area:567.488
Solvation:-15.6202
Coulombic:-45.8216
Bond Count [?]
All:28
Single:17
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.329
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.72
LogP (Chemaxon):3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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