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Chemical ID: 5692721
Chemical ID:
5692721
Name [?]:
2-(5-aminotetrazol-2-yl)-N-[(2-hydroxy-5-nitro-phenyl)methyleneamino]acetamide
SMILES [?]:
c1cc(c(cc1N(=O)=O)C=NNC(=O)Cn2nc(nn2)N)O
InChi [?]:
InChI=1/C10H10N8O4/c11-10-14-16-17(15-10)5-9(20)13-12-4-6-3-7(18(21)22)1-2-8(6)19/h1-4,19H,5H2,(H2,11,15)(H,13,20)
InChi Info:
AuxInfo=1/1/N:1,2,5,10,15,4,6,3,13,18,21,11,12,19,17,20,16,7,22,14,8,9/E:(21,22)/CRV:18.5/rA:22nCCCCCCNOOCNNCOCNNCNNNO/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s4;w10;s11;s12;d13;s13;s15;s16;d17;s18;s16d19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N8O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.02328 |
Area: | 494.291 |
Solvation: | -11.334 |
Coulombic: | -64.0116 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 306.238 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 0.84 |
LogP (Chemaxon): | 0.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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