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Chemical ID: 6711022
Chemical ID:
6711022
Name [?]:
(4-methoxyphenyl)methyl-(m-tolylmethyl)ammonium
SMILES [?]:
Cc1cccc(c1)C[NH2+]Cc2ccc(cc2)OC
InChi [?]:
InChI=1/C16H19NO/c1-13-4-3-5-15(10-13)12-17-11-14-6-8-16(18-2)9-7-14/h3-10,17H,11-12H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,18,4,3,5,12,16,13,15,7,10,8,2,11,6,14,9,17/E:(6,7)(8,9)/rA:18nCCCCCCCCN+CCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20NO+ |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -24.3056 |
Area: | 461.221 |
Solvation: | -35.8361 |
Coulombic: | 26.8042 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 242.336 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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