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Chemical ID: 6733439
Chemical ID:
6733439
Name [?]:
(2-methoxyphenyl)methyl-(o-tolylmethyl)ammonium
SMILES [?]:
Cc1ccccc1C[NH2+]Cc2ccccc2OC
InChi [?]:
InChI=1/C16H19NO/c1-13-7-3-4-8-14(13)11-17-12-15-9-5-6-10-16(15)18-2/h3-10,17H,11-12H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,18,4,5,13,14,3,6,12,15,8,10,2,7,11,16,9,17/rA:18nCCCCCCCCN+CCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20NO+ |
All Atoms: | 38 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.8262 |
Area: | 450.271 |
Solvation: | -31.083 |
Coulombic: | 22.1248 |
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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