Chemical ID: 5573640

c1cc(oc1C=C(C#N)C(=O)N)[N+](=O)[O-]
Chemical ID:
5573640
Name [?]:
2-cyano-3-(5-nitro-2-furyl)-prop-2-enamide
SMILES [?]:
c1cc(oc1C=C(C#N)C(=O)N)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H5N3O4/c9-4-5(8(10)12)3-6-1-2-7(15-6)11(13)14/h1-3H,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,7,5,3,10,9,12,13,11,14,15,4/E:(13,14)/CRV:11.5/rA:15nCCCOCCCCNCONN+OO-/rB:s1;d2;s3;d1s4;s5;w6;s7;t8;s7;d10;s10;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5N3O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-0.438588
Area:374.287
Solvation:-9.79577
Coulombic:-48.6876
Bond Count [?]
All:15
Single:9
Double:5
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:207.143
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.04
LogP (Chemaxon):-0.02

Name Annotations

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Descriptor Annotations

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