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Chemical ID: 7193402
Chemical ID:
7193402
Name [?]:
2-(1H-indol-3-yl)ethyl-(m-tolylmethyl)ammonium
SMILES [?]:
Cc1cccc(c1)C[NH2+]CCc2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C18H20N2/c1-14-5-4-6-15(11-14)12-19-10-9-16-13-20-18-8-3-2-7-17(16)18/h2-8,11,13,19-20H,9-10,12H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,18,19,4,3,5,17,20,11,10,7,8,13,2,6,12,16,15,9,14/rA:20nCCCCCCCCN+CCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N2+ |
All Atoms: | 41 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.7003 |
Area: | 491.336 |
Solvation: | -34.9837 |
Coulombic: | 22.6093 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 265.373 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.91 |
LogP (Chemaxon): | 4.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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