Chemical ID: 4694952

Cc1c2cc(cc(c2oc1C(=O)c3ccc(c(c3)Cl)Cl)Cl)Cl
Chemical ID:
4694952
Name [?]:
(5,7-dichloro-3-methyl-benzofuran-2-yl)-(3,4-dichlorophenyl)-methanone
SMILES [?]:
Cc1c2cc(cc(c2oc1C(=O)c3ccc(c(c3)Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C16H8Cl4O2/c1-7-10-5-9(17)6-13(20)16(10)22-15(7)14(21)8-2-3-11(18)12(19)4-8/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,18,4,6,2,13,5,3,16,17,7,11,10,8,22,20,19,21,12,9/rA:22nCCCCCCCCOCCOCCCCCCClClClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s16;s7;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H8Cl4O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.7529
Area:536.165
Solvation:-1.6512
Coulombic:-20.7148
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:374.044
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.26
LogP (Chemaxon):6.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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