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Chemical ID: 4084752
Chemical ID:
4084752
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3c(nc4nnnn4n3)C2=O
InChi [?]:
InChI=1/C10H4N6O/c17-9-6-4-2-1-3-5(6)7-8(9)11-10-12-14-15-16(10)13-7/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,7,8,16,10,9,11,15,12,13,14,17/rA:17nCCCCCCCCNCNNNNNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s11;d12;s10s13;d7s14;s4s8;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H4N6O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57601 |
Area: | 373.777 |
Solvation: | -1.76841 |
Coulombic: | -22.3327 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 224.179 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 0.4 |
LogP (Chemaxon): | 1.24 |
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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