Chemical ID: 5072362

Cc1c2ccccc2c(c3c1cc[n+]4c3cccc4)C
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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