Chemical ID: 3967836

c1cc(oc1C=NNC(=O)N)[N+](=O)[O-]
Chemical ID:
3967836
Name [?]:
(5-nitro-2-furyl)methyleneaminourea
SMILES [?]:
c1cc(oc1C=NNC(=O)N)[N+](=O)[O-]
InChi [?]:
InChI=1/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,3,9,11,7,8,12,10,13,14,4/E:(12,13)/CRV:10.5/rA:14nCCCOCCNNCONN+OO-/rB:s1;d2;s3;d1s4;s5;w6;s7;s8;d9;s9;s3;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N4O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-0.866001
Area:364.079
Solvation:-9.96797
Coulombic:-56.6451
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:198.136
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:0.04
LogP (Chemaxon):0.09

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Descriptor Annotations

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