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Chemical ID: 5072362
Chemical ID:
5072362
Name [?]:
None
SMILES [?]:
Cc1c2ccccc2c(c3c1cc[n+]4c3cccc4)C
InChi [?]:
InChI=1/C19H16N/c1-13-15-7-3-4-8-16(15)14(2)19-17(13)10-12-20-11-6-5-9-18(19)20/h3-12H,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,20,5,6,17,18,4,7,16,12,19,13,2,9,3,8,11,15,10,14/CRV:20+1/rA:20nCCCCCCCCCCCCCN+CCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s11;d12;s13;s10s14;d15;s16;d17;d14s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N+ |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -15.8723 |
Area: | 420.479 |
Solvation: | -26.3842 |
Coulombic: | 16.4637 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 258.337 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.36 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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