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Chemical ID: 7529359
Chemical ID:
7529359
Name [?]:
N-(2-chlorophenyl)-2-(4,6-dimethylbenzofuran-3-yl)-acetamide
SMILES [?]:
Cc1cc(c2c(c1)occ2CC(=O)Nc3ccccc3Cl)C
InChi [?]:
InChI=1/C18H16ClNO2/c1-11-7-12(2)18-13(10-22-16(18)8-11)9-17(21)20-15-6-4-3-5-14(15)19/h3-8,10H,9H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,18,17,19,16,3,7,11,9,2,4,10,20,15,6,12,5,21,14,13,8/rA:22nCCCCCCCOCCCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClNO2 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.38079 |
Area: | 499.889 |
Solvation: | -3.11642 |
Coulombic: | -28.4499 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.26 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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