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Chemical ID: 4724822
Chemical ID:
4724822
Name [?]:
2-(2,4-dichlorophenoxy)ethyl-dimethyl-ammonium
SMILES [?]:
C[NH+](C)CCOc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C10H13Cl2NO/c1-13(2)5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,5-6H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,9,8,4,5,11,10,12,7,14,13,2,6/E:(1,2)/rA:14nCN+CCCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14Cl2NO+ |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -21.9187 |
Area: | 413.968 |
Solvation: | -32.2679 |
Coulombic: | 20.4154 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.13 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.03 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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