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Chemical ID: 4163787
Chemical ID:
4163787
Name [?]:
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanone
SMILES [?]:
c1cc(c(cc1Cl)Cl)C(=O)Cn2ccnc2
InChi [?]:
InChI=1/C11H8Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,14,13,5,11,16,6,3,4,9,7,8,15,12,10/rA:16nCCCCCCClClCOCNCCNC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s9;s11;s12;d13;s14;s12d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8Cl2N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.76435 |
Area: | 421.393 |
Solvation: | -3.77047 |
Coulombic: | -17.5186 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 255.1 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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