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Chemical ID: 7044963
Chemical ID:
7044963
Name [?]:
N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-19,21,23-trien-20-yl)prop-2-enamide
SMILES [?]:
C=CC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCOCCO2
InChi [?]:
InChI=1/C19H27NO7/c1-2-19(21)20-16-3-4-17-18(15-16)27-14-12-25-10-8-23-6-5-22-7-9-24-11-13-26-17/h2-4,15H,1,5-14H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,7,8,20,19,22,17,23,16,25,14,26,13,11,6,9,10,3,5,4,21,18,24,15,27,12/rA:27nCCCONCCCCCCOCCOCCOCCOCCOCCO/rB:d1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s9s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27NO7 |
All Atoms: | 54 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.79033 |
Area: | 583.436 |
Solvation: | -11.7956 |
Coulombic: | -65.5504 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 381.42 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 0.43 |
LogP (Chemaxon): | 0.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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