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Chemical ID: 6708719
Chemical ID:
6708719
Name [?]:
None
SMILES [?]:
Cc1ccc2ccc3ccc(nc3c2[nH+]1)C
InChi [?]:
InChI=1/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,16,3,10,4,9,6,7,2,11,5,8,14,13,15,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCCCCCCCCCCNCCN+C/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;d5s13;d2s14;s11;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13N2+ |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -18.4162 |
Area: | 375.904 |
Solvation: | -27.8138 |
Coulombic: | -3.82552 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 209.266 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.86 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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