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Chemical ID: 7221673
Chemical ID:
7221673
Name [?]:
None
SMILES [?]:
Cc1cc(nn1C)c2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C14H12N6/c1-9-7-12(17-19(9)2)13-16-14-10-5-3-4-6-11(10)15-8-20(14)18-13/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,13,14,12,15,3,18,2,11,16,4,8,10,17,9,5,20,6,19/rA:20nCCCCNNCCNCCCCCCCNCNN/rB:s1;d2;s3;d4;s2s5;s6;s4;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s18;d8s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12N6 |
All Atoms: | 32 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9011 |
Area: | 449.516 |
Solvation: | -2.3368 |
Coulombic: | -22.5656 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 264.286 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.96 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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