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Chemical ID: 5274737
Chemical ID:
5274737
Name [?]:
7-[(3-chlorophenyl)methoxy]-3-(2-methoxyphenoxy)-2-methyl-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OCc3cccc(c3)Cl)Oc4ccccc4OC
InChi [?]:
InChI=1/C24H19ClO5/c1-15-24(30-21-9-4-3-8-20(21)27-2)23(26)19-11-10-18(13-22(19)29-15)28-14-16-6-5-7-17(25)12-16/h3-13H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,26,25,17,16,18,27,24,8,7,20,10,14,2,15,19,9,6,28,23,11,4,3,21,5,29,13,12,22/rA:30nCCCCOCCCCCCOOCCCCCCCClOCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s14;s15;d16;s17;d18;d15s19;s19;s3;s22;s23;d24;s25;d26;d23s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19ClO5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.98912 |
Area: | 642.089 |
Solvation: | -6.06312 |
Coulombic: | -41.1331 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 422.857 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.61 |
LogP (Chemaxon): | 5.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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