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Chemical ID: 7221654
Chemical ID:
7221654
Name [?]:
None
SMILES [?]:
Cc1c(c(n(n1)CC(C)c2nc3c4ccccc4ncn3n2)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H17N7O2/c1-10(8-22-12(3)15(24(25)26)11(2)20-22)16-19-17-13-6-4-5-7-14(13)18-9-23(17)21-16/h4-7,9-10H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:9,1,23,15,16,14,17,7,20,8,2,4,13,18,3,10,12,19,11,6,22,5,21,24,25,26/E:(25,26)/CRV:24.5/rA:26cCCCCNNCCCCNCCCCCCCNCNNCN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s18;d19;s12s20;d10s21;s4;s3;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N7O2 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.03294 |
Area: | 558.927 |
Solvation: | -6.94023 |
Coulombic: | -35.373 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 351.363 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.5 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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