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Chemical ID: 7382243
Chemical ID:
7382243
Name [?]:
None
SMILES [?]:
COc1cc(cc(c1OC)OC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2)F
InChi [?]:
InChI=1/C20H16FNO6/c1-25-13-6-9(7-14(26-2)18(13)27-3)16-15-17(23)11-8-10(21)4-5-12(11)28-19(15)20(24)22-16/h4-8,16H,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,12,10,20,21,4,6,18,5,19,17,22,3,7,14,13,15,8,24,25,28,27,16,26,2,11,9,23/E:(1,2)(6,7)(13,14)(25,26)/rA:28cCOCCCCCCOCOCCCCOCCCCCCOCCONF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16FNO6 |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.00054 |
Area: | 548.872 |
Solvation: | -8.72125 |
Coulombic: | -61.7154 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 385.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.78 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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