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Chemical ID: 6847196
Chemical ID:
6847196
Name [?]:
3-[(3-chlorophenyl)methoxy]-2-(2-furyl)-6,8-dimethyl-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCc4cccc(c4)Cl)C
InChi [?]:
InChI=1/C22H17ClO4/c1-13-9-14(2)20-17(10-13)19(24)22(21(27-20)18-7-4-8-25-18)26-12-15-5-3-6-16(23)11-15/h3-11H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,22,15,21,23,14,16,3,7,25,19,2,4,20,24,6,13,8,5,11,10,26,9,17,18,12/rA:27nCCCCCCCCOCCOCCCCOOCCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;s20;d21;s22;d23;d20s24;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17ClO4 |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4356 |
Area: | 570.659 |
Solvation: | -3.83088 |
Coulombic: | -34.9101 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 380.821 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.57 |
LogP (Chemaxon): | 5.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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