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Chemical ID: 7522071
Chemical ID:
7522071
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4ccc(cc4)F)c5cccc(c5)O
InChi [?]:
InChI=1/C25H18FNO4/c1-13-10-19-20(11-14(13)2)31-24-21(23(19)29)22(15-4-3-5-18(28)12-15)27(25(24)30)17-8-6-16(26)7-9-17/h3-12,22,28H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,27,26,28,20,22,19,23,3,6,30,2,7,25,21,18,29,4,5,11,14,12,10,16,24,15,31,13,17,9/E:(6,7)(8,9)/rA:31cCCCCCCCCOCCCOCNCOCCCCCCFCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;d19;s20;d21;d18s22;s21;s14;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H18FNO4 |
All Atoms: | 49 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.98538 |
Area: | 592.822 |
Solvation: | -4.83517 |
Coulombic: | -54.5894 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.61 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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