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Chemical ID: 6847198
Chemical ID:
6847198
Name [?]:
3-[(3,4-dichlorophenyl)methoxy]-2-(2-furyl)-6,8-dimethyl-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCc4ccc(c(c4)Cl)Cl)C
InChi [?]:
InChI=1/C22H16Cl2O4/c1-12-8-13(2)20-15(9-12)19(25)22(21(28-20)18-4-3-7-26-18)27-11-14-5-6-16(23)17(24)10-14/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,15,14,21,22,16,3,7,25,19,2,4,20,6,23,24,13,8,5,11,10,27,26,9,17,18,12/rA:28nCCCCCCCCOCCOCCCCOOCCCCCCCClClC/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;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16Cl2O4 |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1491 |
Area: | 597.787 |
Solvation: | -3.79556 |
Coulombic: | -35.0811 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 415.265 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.19 |
LogP (Chemaxon): | 6.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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