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Chemical ID: 6874771
Chemical ID:
6874771
Name [?]:
2-(2-chlorophenyl)-3-[(2,4-dichlorophenyl)methoxy]-6-methyl-chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C23H15Cl3O3/c1-13-6-9-20-17(10-13)21(27)23(22(29-20)16-4-2-3-5-18(16)25)28-12-14-7-8-15(24)11-19(14)26/h2-11H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,17,3,23,24,4,7,26,21,2,22,25,13,6,18,27,5,8,11,10,29,19,28,9,20,12/rA:29nCCCCCCCCOCCOCCCCCCClOCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s10;s20;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H15Cl3O3 |
All Atoms: | 44 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1565 |
Area: | 629.612 |
Solvation: | -2.58375 |
Coulombic: | -30.3412 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 445.721 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 7.88 |
LogP (Chemaxon): | 7.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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