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Chemical ID: 6968681
Chemical ID:
6968681
Name [?]:
2-(2,4-dibromo-6-methyl-phenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILES [?]:
Cc1cc(cc(c1OCC(=O)NN=C(C)c2ccccc2O)Br)Br
InChi [?]:
InChI=1/C17H16Br2N2O3/c1-10-7-12(18)8-14(19)17(10)24-9-16(23)21-20-11(2)13-5-3-4-6-15(13)22/h3-8,22H,9H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,15,18,19,17,20,3,5,9,2,14,4,16,6,21,10,7,24,23,13,12,22,11,8/rA:24nCCCCCCCOCCONNCCCCCCCCOBrBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s14;s16;d17;s18;d19;d16s20;s21;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16Br2N2O3 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.65245 |
Area: | 570.962 |
Solvation: | -6.6216 |
Coulombic: | -41.0654 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 456.129 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.24 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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