Chemical ID: 4687581

C[N+](C)(CC(=O)c1ccc(cc1)Cl)CC(=O)c2ccc(cc2)Cl
Chemical ID:
4687581
Name [?]:
bis[2-(4-chlorophenyl)-2-oxo-ethyl]-dimethyl-ammonium
SMILES [?]:
C[N+](C)(CC(=O)c1ccc(cc1)Cl)CC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H18Cl2NO2/c1-21(2,11-17(22)13-3-7-15(19)8-4-13)12-18(23)14-5-9-16(20)10-6-14/h3-10H,11-12H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,8,12,18,22,9,11,19,21,4,14,7,17,10,20,5,15,13,23,2,6,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(22,23)/CRV:21+1/rA:23nCN+CCCOCCCCCCClCCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s2;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18Cl2NO2+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-17.8508
Area:555.59
Solvation:-31.7406
Coulombic:9.25977
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.246
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.68
LogP (Chemaxon):-1.25

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Descriptor Annotations

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