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Chemical ID: 7352203
Chemical ID:
7352203
Name [?]:
4-[7-[(2,6-difluorophenyl)methoxy]-2-oxo-chromen-3-yl]-7-methoxy-chromen-2-one
SMILES [?]:
COc1ccc2c(cc(=O)oc2c1)c3cc4ccc(cc4oc3=O)OCc5c(cccc5F)F
InChi [?]:
InChI=1/C26H16F2O6/c1-31-15-7-8-17-18(12-25(29)33-24(17)10-15)19-9-14-5-6-16(11-23(14)34-26(19)30)32-13-20-21(27)3-2-4-22(20)28/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,30,29,31,17,18,4,5,15,13,20,8,26,16,3,19,6,7,14,27,28,32,21,12,9,23,34,33,10,24,2,25,11,22/E:(3,4)(21,22)(27,28)/rA:34nCOCCCCCCCOOCCCCCCCCCCOCOOCCCCCCCFF/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;d3s12;s7;d14;s15;s16;d17;s18;d19;d16s20;s21;s14s22;d23;s19;s25;s26;s27;d28;s29;d30;d27s31;s32;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H16F2O6 |
All Atoms: | 50 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46029 |
Area: | 657.769 |
Solvation: | -7.98392 |
Coulombic: | -58.5613 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 462.398 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.16 |
LogP (Chemaxon): | 5.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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