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Chemical ID: 4566394
Chemical ID:
4566394
Name [?]:
[3-(2,6-dioxabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-6-ethyl-4-oxo-chromen-7-yl] dimethylaminoformate
SMILES [?]:
CCc1cc2c(cc1OC(=O)N(C)C)occ(c2=O)c3ccc4c(c3)OCCCO4
InChi [?]:
InChI=1/C23H23NO6/c1-4-14-10-16-20(12-19(14)30-23(26)24(2)3)29-13-17(22(16)25)15-6-7-18-21(11-15)28-9-5-8-27-18/h6-7,10-13H,4-5,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,14,2,28,21,22,29,27,4,25,7,16,3,20,5,17,23,8,6,24,18,10,12,19,11,30,26,15,9/E:(2,3)/rA:30nCCCCCCCCOCONCCOCCCOCCCCCCOCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s12;s6;s15;d16;s5s17;d18;s17;s20;d21;s22;d23;d20s24;s24;s26;s27;s28;s23s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO6 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85025 |
Area: | 616.049 |
Solvation: | -5.55097 |
Coulombic: | -59.6305 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 409.432 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.77 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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