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Chemical ID: 7662158
Chemical ID:
7662158
Name [?]:
None
SMILES [?]:
COc1cc(ccc1O)C=NNC(=O)CNC(=O)c2cccc(c2)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H16N4O6/c1-27-15-7-11(5-6-14(15)22)9-19-20-16(23)10-18-17(24)12-3-2-4-13(8-12)21(25)26/h2-9,22H,10H2,1H3,(H,18,24)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,6,7,4,24,10,15,5,19,23,8,3,13,17,16,11,12,25,9,14,18,26,27,2/E:(25,26)/CRV:21.5/rA:27nCOCCCCCCOCNNCOCNCOCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N4O6 |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 2.71986 |
Area: | 608.314 |
Solvation: | -12.488 |
Coulombic: | -73.0697 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.44 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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