Chemical ID: 4894074

COc1ccc(cc1OC)C(=O)Oc2ccc3c(c2)OC(=Cc4cccc(c4)F)C3=O
Chemical ID:
4894074
Name [?]:
[2-[(3-fluorophenyl)methylene]-3-oxo-benzofuran-6-yl] 3,4-dimethoxybenzoate
SMILES [?]:
COc1ccc(cc1OC)C(=O)Oc2ccc3c(c2)OC(=Cc4cccc(c4)F)C3=O
InChi [?]:
InChI=1/C24H17FO6/c1-28-19-9-6-15(12-21(19)29-2)24(27)30-17-7-8-18-20(13-17)31-22(23(18)26)11-14-4-3-5-16(25)10-14/h3-13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,25,24,26,5,15,16,4,28,22,7,19,23,6,27,14,17,3,18,8,21,30,11,29,31,12,2,9,13,20/rA:31nCOCCCCCCOCCOOCCCCCCOCCCCCCCCFCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s27;s17s21;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H17FO6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.14112
Area:641.627
Solvation:-6.89956
Coulombic:-55.2396
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:420.387
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.86
LogP (Chemaxon):4.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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