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Chemical ID: 7741731
Chemical ID:
7741731
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CC(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
InChi [?]:
InChI=1/C22H23NO4/c1-26-17-8-6-16(7-9-17)14-21(25)23-12-10-22(11-13-23)15-19(24)18-4-2-3-5-20(18)27-22/h2-9H,10-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,22,25,5,7,4,8,14,16,13,17,9,18,6,3,21,19,26,10,15,12,20,11,2,27/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCOCCCCCCCCONCCCCCCCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23NO4 |
All Atoms: | 50 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.77535 |
Area: | 565.774 |
Solvation: | -5.369 |
Coulombic: | -38.9556 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.02 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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