Chemical ID: 7382243

COc1cc(cc(c1OC)OC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2)F
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

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Descriptor Annotations

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