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Chemical ID: 6836118
Chemical ID:
6836118
Name [?]:
5-methyl-8-phenyl-6-aza-9-azoniabicyclo[4.3.0]nona-2,4,7,9-tetraene
SMILES [?]:
Cc1cccc2n1cc([nH+]2)c3ccccc3
InChi [?]:
InChI=1/C14H12N2/c1-11-6-5-9-14-15-13(10-16(11)14)12-7-3-2-4-8-12/h2-10H,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,14,13,15,4,3,12,16,5,8,2,11,9,6,10,7/E:(3,4)(7,8)/rA:16nCCCCCCNCCN+CCCCCC/rB:s1;d2;s3;d4;s5;s2s6;s7;d8;d6s9;s9;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13N2+ |
All Atoms: | 29 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.5263 |
Area: | 384.533 |
Solvation: | -30.1397 |
Coulombic: | -4.13045 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 209.266 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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