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Chemical ID: 4581501
Chemical ID:
4581501
Name [?]:
7-[(3-fluorophenyl)methoxy]-4-(2-oxochromen-3-yl)-chromen-2-one
SMILES [?]:
c1ccc2c(c1)cc(c(=O)o2)c3cc(=O)oc4c3ccc(c4)OCc5cccc(c5)F
InChi [?]:
InChI=1/C25H15FO5/c26-17-6-3-4-15(10-17)14-29-18-8-9-19-20(13-24(27)30-23(19)12-18)21-11-16-5-1-2-7-22(16)31-25(21)28/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,27,26,6,28,3,20,19,30,7,22,13,24,25,5,29,21,18,12,8,4,17,14,9,31,15,10,23,16,11/rA:31nCCCCCCCCCOOCCCOOCCCCCCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;d12;s13;d14;s14;s16;s12s17;d18;s19;d20;d17s21;s21;s23;s24;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H15FO5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48351 |
Area: | 618.597 |
Solvation: | -5.98141 |
Coulombic: | -49.8549 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 414.382 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.09 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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