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Chemical ID: 4694952
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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