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Chemical ID: 7221469
Chemical ID:
7221469
Name [?]:
None
SMILES [?]:
Cn1c(ccn1)c2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C13H10N6/c1-18-11(6-7-15-18)12-16-13-9-4-2-3-5-10(9)14-8-19(13)17-12/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,4,5,17,10,15,3,7,9,16,6,8,19,2,18/rA:19nCNCCCNCNCCCCCCCNCNN/rB:s1;s2;d3;s4;s2d5;s3;s7;d8;s9;s10;d11;s12;d13;d10s14;s15;d16;s9s17;d7s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10N6 |
All Atoms: | 29 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08654 |
Area: | 417.792 |
Solvation: | -2.35827 |
Coulombic: | -22.4503 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 250.259 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.82 |
LogP (Chemaxon): | 1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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