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Chemical ID: 4151203
Chemical ID:
4151203
Name [?]:
7-benzyloxy-3-(4-methoxyphenoxy)-chromen-4-one
SMILES [?]:
COc1ccc(cc1)Oc2coc3cc(ccc3c2=O)OCc4ccccc4
InChi [?]:
InChI=1/C23H18O5/c1-25-17-7-9-18(10-8-17)28-22-15-27-21-13-19(11-12-20(21)23(22)24)26-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,24,28,4,8,5,7,16,17,14,22,11,23,3,6,15,18,13,10,19,20,2,21,12,9/E:(3,4)(5,6)(7,8)(9,10)/rA:28nCOCCCCCCOCCOCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.10932 |
Area: | 593.97 |
Solvation: | -5.73992 |
Coulombic: | -40.4142 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 374.386 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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