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Chemical ID: 7221416
Chemical ID:
7221416
Name [?]:
None
SMILES [?]:
CCn1cc(cn1)c2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C14H12N6/c1-2-19-8-10(7-16-19)13-17-14-11-5-3-4-6-12(11)15-9-20(14)18-13/h3-9H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,14,12,15,6,4,18,5,11,16,8,10,17,7,9,20,3,19/rA:20nCCNCCCNCNCCCCCCCNCNN/rB:s1;s2;s3;d4;s5;s3d6;s5;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: | 8.97122 |
Area: | 450.058 |
Solvation: | -2.28023 |
Coulombic: | -21.6629 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 264.286 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.14 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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