Chemical ID: 5184596

C[n+]1cccc2c1cc(c3c2cccc3)c4ccccc4
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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