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Chemical ID: 7668476
Chemical ID:
7668476
Name [?]:
None
SMILES [?]:
c1ccc(cc1)NC(=O)n2ccnc2
InChi [?]:
InChI=1/C10H9N3O/c14-10(13-7-6-11-8-13)12-9-4-2-1-3-5-9/h1-8H,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,11,14,4,8,13,7,10,9/E:(2,3)(4,5)/rA:14nCCCCCCNCONCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;s10d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N3O |
All Atoms: | 23 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.54925 |
Area: | 355.163 |
Solvation: | -2.32983 |
Coulombic: | -33.7654 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.54 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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