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Chemical ID: 4264513
Chemical ID:
4264513
Name [?]:
N-[(4-amino-1,2,5-oxadiazol-3-yl)azo]-1,2,5-oxadiazole-3,4-diamine
SMILES [?]:
c1(c(non1)NN=Nc2c(non2)N)N
InChi [?]:
InChI=1/C4H5N9O2/c5-1-3(11-14-9-1)7-13-8-4-2(6)10-15-12-4/h(H2,5,9)(H2,6,10)(H,7,8,11,12)
InChi Info:
AuxInfo=1/1/N:1,10,2,9,15,14,6,8,5,11,3,13,7,4,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/gE:(1,2)/rA:15nCCNONNNNCCNONNN/rB:s1;d2;s3;d1s4;s2;s6;w7;s8;s9;d10;s11;d9s12;s10;s1;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H5N9O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.11824 |
Area: | 376.442 |
Solvation: | -2.29281 |
Coulombic: | -51.3501 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 211.142 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 5 |
XLogP: | 1.17 |
LogP (Chemaxon): | 1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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