Chemical ID: 5567426

c1cc(ccc1n2cc(nn2)C=O)[N+](=O)[O-]
Chemical ID:
5567426
Name [?]:
1-(4-nitrophenyl)triazole-4-carbaldehyde
SMILES [?]:
c1cc(ccc1n2cc(nn2)C=O)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H6N4O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:0.082166
Area:394.708
Solvation:-9.78552
Coulombic:-20.08
Bond Count [?]
All:17
Single:10
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:218.169
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.94
LogP (Chemaxon):1.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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