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Chemical ID: 6856935
Chemical ID:
6856935
Name [?]:
cyclohexyl 2-[2-(2-furyl)-7-methyl-4-oxo-chromen-3-yl]oxypropanoate
SMILES [?]:
Cc1ccc2c(c1)oc(c(c2=O)OC(C)C(=O)OC3CCCCC3)c4ccco4
InChi [?]:
InChI=1/C23H24O6/c1-14-10-11-17-19(13-14)29-21(18-9-6-12-26-18)22(20(17)24)27-15(2)23(25)28-16-7-4-3-5-8-16/h6,9-13,15-16H,3-5,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,22,21,23,27,20,24,26,3,4,28,7,2,14,19,5,25,6,11,9,10,16,12,17,29,13,18,8/E:(4,5)(7,8)/rA:29cCCCCCCCOCCCOOCCCOOCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;s14;d16;s16;s18;s19;s20;s21;s22;s19s23;s9;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24O6 |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.87297 |
Area: | 581.844 |
Solvation: | -4.67312 |
Coulombic: | -53.052 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 396.433 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.07 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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