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Chemical ID: 6874897
Chemical ID:
6874897
Name [?]:
2-(4-chlorophenyl)-3-[(2,4-dichlorophenyl)methoxy]-6-methyl-chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C23H15Cl3O3/c1-13-2-9-20-18(10-13)21(27)23(22(29-20)14-3-6-16(24)7-4-14)28-12-15-5-8-17(25)11-19(15)26/h2-11H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,14,18,23,15,17,24,4,7,26,21,2,13,22,16,25,6,27,5,8,11,10,19,29,28,9,20,12/E:(3,4)(6,7)/rA:29nCCCCCCCCOCCOCCCCCCClOCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;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: | 13.5761 |
Area: | 646.96 |
Solvation: | -2.59786 |
Coulombic: | -30.3801 |
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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