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Chemical ID: 7386487
Chemical ID:
7386487
Name [?]:
None
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)Cc5ccc(cc5)F)C
InChi [?]:
InChI=1/C26H20FNO4/c1-14-10-15(2)24-20(11-14)23(30)21-22(17-4-3-5-19(29)12-17)28(26(31)25(21)32-24)13-16-6-8-18(27)9-7-16/h3-12,22,29H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,19,18,20,26,30,27,29,3,7,22,24,2,4,25,17,28,21,6,10,16,8,5,11,13,31,15,23,9,14,12/E:(6,7)(8,9)/rA:32cCCCCCCCCOCCOCONCCCCCCCOCCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s15;s24;s25;d26;s27;d28;d25s29;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H20FNO4 |
All Atoms: | 52 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6382 |
Area: | 626.676 |
Solvation: | -5.02873 |
Coulombic: | -55.8822 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 429.44 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.55 |
LogP (Chemaxon): | 5.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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