Chemical ID: 4803721

CN1C(c2c(=O)c3cc(ccc3oc2C1=O)F)c4cc(c(c(c4)OC)OC)OC
Chemical ID:
4803721
Name [?]:
None
SMILES [?]:
CN1C(c2c(=O)c3cc(ccc3oc2C1=O)F)c4cc(c(c(c4)OC)OC)OC
InChi [?]:
InChI=1/C21H18FNO6/c1-23-17(10-7-14(26-2)19(28-4)15(8-10)27-3)16-18(24)12-9-11(22)5-6-13(12)29-20(16)21(23)25/h5-9,17H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,29,27,10,11,23,19,8,18,9,7,12,22,20,4,3,5,21,14,15,17,2,6,16,24,28,26,13/E:(2,3)(7,8)(14,15)(26,27)/rA:29cCNCCCOCCCCCCOCCOFCCCCCCOCOCOC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;d4s13;s2s14;d15;s9;s3;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s20;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18FNO6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:5.63216
Area:568.389
Solvation:-8.57757
Coulombic:-57.6951
Bond Count [?]
All:32
Single:23
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:399.369
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.92
LogP (Chemaxon):2.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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