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Chemical ID: 6847199
Chemical ID:
6847199
Name [?]:
3-[(2-chloro-6-fluoro-phenyl)methoxy]-2-(2-furyl)-6,8-dimethyl-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCc4c(cccc4Cl)F)C
InChi [?]:
InChI=1/C22H16ClFO4/c1-12-9-13(2)20-14(10-12)19(25)22(21(28-20)18-7-4-8-26-18)27-11-15-16(23)5-3-6-17(15)24/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,23,15,24,22,14,16,3,7,19,2,4,6,20,25,21,13,8,5,11,10,26,27,9,17,18,12/rA:28nCCCCCCCCOCCOCCCCOOCCCCCCCClFC/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;s25;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16ClFO4 |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19538 |
Area: | 549.876 |
Solvation: | -4.55152 |
Coulombic: | -37.2646 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 398.811 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.73 |
LogP (Chemaxon): | 5.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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