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Chemical ID: 7705048
Chemical ID:
7705048
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2)C(=O)NN=Cc3cccc(c3)OC
InChi [?]:
InChI=1/C23H22N2O3/c1-17-6-8-18(9-7-17)16-28-21-12-10-20(11-13-21)23(26)25-24-15-19-4-3-5-22(14-19)27-2/h3-15H,16H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,28,23,22,24,3,7,4,6,12,14,11,15,26,20,8,2,5,21,13,10,25,16,19,18,17,27,9/E:(6,7)(8,9)(10,11)(12,13)/rA:28nCCCCCCCCOCCCCCCCONNCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1939 |
Area: | 646.491 |
Solvation: | -5.96839 |
Coulombic: | -35.961 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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