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Chemical ID: 7711864
Chemical ID:
7711864
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CNc2cn[nH]c(=O)n2
InChi [?]:
InChI=1/C10H10N4O/c15-10-13-9(7-12-14-10)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,10,4,9,13,8,11,15,12,14/E:(2,3)(4,5)/rA:15nCCCCCCCNCCNNCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s12;d13;d9s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N4O |
All Atoms: | 25 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.57636 |
Area: | 382.691 |
Solvation: | -1.99093 |
Coulombic: | -41.1409 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.29 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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