Chemical ID: 5113755

c1ccc(c(c1)C=NNC(=O)c2c(n(nn2)c3c(non3)N)CN4CCCCC4)[N+](=O)[O-]
Chemical ID:
5113755
Name [?]:
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-nitrophenyl)methyleneamino]-5-(1-piperidylmethyl)triazole-4-carboxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)c2c(n(nn2)c3c(non3)N)CN4CCCCC4)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H20N10O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:7.69659
Area:636.326
Solvation:-8.21155
Coulombic:-63.6619
Bond Count [?]
All:35
Single:25
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:440.416
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:2.76
LogP (Chemaxon):1.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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