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Chemical ID: 7741669
Chemical ID:
7741669
Name [?]:
None
SMILES [?]:
CCOc1ccccc1C(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
InChi [?]:
InChI=1/C22H23NO4/c1-2-26-19-9-5-4-8-17(19)21(25)23-13-11-22(12-14-23)15-18(24)16-7-3-6-10-20(16)27-22/h3-10H,2,11-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,23,7,6,24,22,8,5,25,14,16,13,17,18,21,9,19,4,26,10,15,12,20,11,3,27/E:(11,12)(13,14)/rA:27nCCOCCCCCCCONCCCCCCCOCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;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: | 8.90561 |
Area: | 559.222 |
Solvation: | -5.07494 |
Coulombic: | -40.8898 |
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: | 3.63 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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