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Chemical ID: 7741715
Chemical ID:
7741715
Name [?]:
None
SMILES [?]:
c1ccc(cc1)OCC(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
InChi [?]:
InChI=1/C21H21NO4/c23-18-14-21(26-19-9-5-4-8-17(18)19)10-12-22(13-11-21)20(24)15-25-16-6-2-1-3-7-16/h1-9H,10-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,23,3,5,21,24,13,15,12,16,17,8,4,20,18,25,9,14,11,19,10,7,26/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCOCCONCCCCCCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO4 |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.13297 |
Area: | 547.23 |
Solvation: | -5.54779 |
Coulombic: | -40.2785 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.98 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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