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Chemical ID: 5627281
Chemical ID:
5627281
Name [?]:
6-(6-quinolyl)quinoline
SMILES [?]:
c1cc2cc(ccc2nc1)c3ccc4c(c3)cccn4
InChi [?]:
InChI=1/C18H12N2/c1-3-15-11-13(5-7-17(15)19-9-1)14-6-8-18-16(12-14)4-2-10-20-18/h1-12H
InChi Info:
AuxInfo=1/0/N:1,18,2,17,6,12,7,13,10,19,4,16,5,11,3,15,8,14,9,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCCCCCCCCNCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s5;s11;d12;s13;s14;d11s15;d15;s17;d18;d14s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12N2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.72854 |
Area: | 440.181 |
Solvation: | -2.276 |
Coulombic: | -12.0552 |
Bond Count [?]
All: | 23 |
Single: | 13 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 256.301 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.17 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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