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Chemical ID: 7659815
Chemical ID:
7659815
Name [?]:
None
SMILES [?]:
c1[nH]c(=O)c2c(n1)[nH]c(n2)n3cncn3
InChi [?]:
InChI=1/C7H5N7O/c15-6-4-5(9-2-10-6)13-7(12-4)14-3-8-1-11-14/h1-3H,(H2,9,10,12,13,15)
InChi Info:
AuxInfo=1/1/N:14,1,12,5,6,3,9,13,7,2,15,10,8,11,4/rA:15nCNCOCCNNCNNCNCN/rB:s1;s2;d3;s3;d5;d1s6;s6;s8;s5d9;s9;s11;d12;s13;s11d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H5N7O |
All Atoms: | 20 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.08751 |
Area: | 355.395 |
Solvation: | -2.79735 |
Coulombic: | -53.5523 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -1.09 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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