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Chemical ID: 7672252
Chemical ID:
7672252
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nn(n2)c3cc([nH]n3)O
InChi [?]:
InChI=1/C9H7N5O/c15-9-5-8(10-11-9)14-12-6-3-1-2-4-7(6)13-14/h1-5H,(H2,10,11,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,5,4,10,12,14,13,7,9,8,15/E:(1,2)(3,4)(6,7)(12,13)/rA:15nCCCCCCNNNCCCNNO/rB:s1;d2;s3;s4;d1s5;d5;s7;d4s8;s8;s10;d11;s12;d10s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7N5O |
All Atoms: | 22 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.37689 |
Area: | 362.939 |
Solvation: | -2.6966 |
Coulombic: | -32.645 |
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: | 3.38 |
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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