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Chemical ID: 6879690
Chemical ID:
6879690
Name [?]:
3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6-methyl-chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCc4cccc(c4)Cl
InChi [?]:
InChI=1/C24H19ClO4/c1-15-6-11-21-20(12-15)22(26)24(28-14-16-4-3-5-18(25)13-16)23(29-21)17-7-9-19(27-2)10-8-17/h3-13H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,25,24,26,3,14,18,15,17,4,7,28,22,2,23,13,27,16,6,5,8,11,10,29,9,19,21,12/E:(7,8)(9,10)/rA:29nCCCCCCCCOCCOCCCCCCOCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19ClO4 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0797 |
Area: | 612.856 |
Solvation: | -4.24175 |
Coulombic: | -36.239 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 406.858 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.56 |
LogP (Chemaxon): | 5.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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