Chemical ID: 4163787

c1cc(c(cc1Cl)Cl)C(=O)Cn2ccnc2
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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