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Chemical ID: 6879765
Chemical ID:
6879765
Name [?]:
[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl] 2,4-dichlorobenzoate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C21H12Cl2O5/c1-11-4-7-16-14(9-11)18(24)20(19(27-16)17-3-2-8-26-17)28-21(25)13-6-5-12(22)10-15(13)23/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,3,23,22,4,16,7,25,2,24,21,6,26,5,13,8,11,10,19,28,27,9,20,17,12,18/rA:28nCCCCCCCCOCCOCCCCOOCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H12Cl2O5 |
All Atoms: | 40 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4143 |
Area: | 589.307 |
Solvation: | -3.31839 |
Coulombic: | -45.8497 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 415.222 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.84 |
LogP (Chemaxon): | 5.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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