Chemical ID: 6879761

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccccc4F
Chemical ID:
6879761
Name [?]:
[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl] 2-fluorobenzoate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccccc4F
InChi [?]:
InChI=1/C21H13FO5/c1-12-8-9-16-14(11-12)18(23)20(19(26-16)17-7-4-10-25-17)27-21(24)13-5-2-3-6-15(13)22/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,15,22,25,14,3,4,16,7,2,21,6,26,5,13,8,11,10,19,27,9,20,17,12,18/rA:27nCCCCCCCCOCCOCCCCOOCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H13FO5
All Atoms:40
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.05724
Area:535.104
Solvation:-4.32035
Coulombic:-48.7683
Bond Count [?]
All:30
Single:19
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:364.323
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.76
LogP (Chemaxon):4.4

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Descriptor Annotations

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