Chemical ID: 4724822

C[NH+](C)CCOc1ccc(cc1Cl)Cl
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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Descriptor Annotations

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