Chemical ID: 7242413

CCOc1ccc(cc1)[NH2+]C(=O)C
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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