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Chemical ID: 5184596
Chemical ID:
5184596
Name [?]:
None
SMILES [?]:
C[n+]1cccc2c1cc(c3c2cccc3)c4ccccc4
InChi [?]:
InChI=1/C20H16N/c1-21-13-7-12-18-16-10-5-6-11-17(16)19(14-20(18)21)15-8-3-2-4-9-15/h2-14H,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,19,18,20,13,14,4,17,21,12,15,5,3,8,16,11,10,6,9,7,2/E:(3,4)(8,9)/CRV:21+1/rA:21nCN+CCCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6s10;d11;s12;d13;d10s14;s9;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N+ |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -16.6786 |
Area: | 449.798 |
Solvation: | -27.9236 |
Coulombic: | 16.3032 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 270.348 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.3 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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