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Chemical ID: 5073391
Chemical ID:
5073391
Name [?]:
None
SMILES [?]:
Cc1c2ccccc2cc3c1c4cccc[n+]4cc3
InChi [?]:
InChI=1/C18H14N/c1-13-16-7-3-2-6-14(16)12-15-9-11-19-10-5-4-8-17(19)18(13)15/h2-12H,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,6,5,14,15,7,4,13,19,16,18,9,2,8,10,3,12,11,17/CRV:19+1/rA:19nCCCCCCCCCCCCCCCCN+CC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s11;s12;d13;s14;d15;d12s16;s17;s10d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N+ |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -16.4298 |
Area: | 404.279 |
Solvation: | -26.5367 |
Coulombic: | 16.4182 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 244.311 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.92 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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