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Chemical ID: 3967520
Chemical ID:
3967520
Name [?]:
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
SMILES [?]:
c1cc(c(cc1Cl)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
InChi Info:
AuxInfo=1/0/N:2,1,20,19,15,14,5,22,12,9,17,3,6,21,18,4,23,11,7,25,8,24,16,13,10/rA:25cCCCCCCClClCOCCNCCNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s13;d14;s15;s13d16;s11;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14Cl4N2O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.574 |
Area: | 600.782 |
Solvation: | -2.44556 |
Coulombic: | -22.8992 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 416.127 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.09 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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