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Chemical ID: 5670817
Chemical ID:
5670817
Name [?]:
2-(5-aminotetrazol-2-yl)-N-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino]acetamide
SMILES [?]:
COc1cc(cc(c1O)C=NNC(=O)Cn2nc(nn2)N)N(=O)=O
InChi [?]:
InChI=1/C11H12N8O5/c1-24-8-3-7(19(22)23)2-6(10(8)21)4-13-14-9(20)5-18-16-11(12)15-17-18/h2-4,21H,5H2,1H3,(H2,12,16)(H,14,20)
InChi Info:
AuxInfo=1/1/N:1,6,4,10,15,7,5,3,13,8,18,21,11,12,19,17,20,16,22,14,9,23,24,2/E:(22,23)/CRV:19.5/rA:24nCOCCCCCCOCNNCOCNNCNNNNOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;w10;s11;s12;d13;s13;s15;s16;d17;s18;s16d19;s18;s5;d22;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N8O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.816335 |
Area: | 527.801 |
Solvation: | -12.3787 |
Coulombic: | -70.2976 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 336.264 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 9 |
XLogP: | 0.76 |
LogP (Chemaxon): | 0.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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