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Chemical ID: 3967836
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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