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Chemical ID: 7242413
Chemical ID:
7242413
Name [?]:
acetyl-(4-ethoxyphenyl)-ammonium
SMILES [?]:
CCOc1ccc(cc1)[NH2+]C(=O)C
InChi [?]:
InChI=1/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)/p+1
InChi Info:
AuxInfo=1/1/N:1,13,2,6,8,5,9,11,7,4,10,12,3/E:(4,5)(6,7)/rA:13nCCOCCCCCCN+COC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14NO2+ |
All Atoms: | 27 |
Heavy Atoms: | 13 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -30.15 |
Area: | 360.095 |
Solvation: | -39.1524 |
Coulombic: | 31.6317 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.88 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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