Chemical ID: 6879729

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)Cc4ccccc4
Chemical ID:
6879729
Name [?]:
[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl] 2-phenylacetate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)Cc4ccccc4
InChi [?]:
InChI=1/C22H16O5/c1-14-9-10-17-16(12-14)20(24)22(21(26-17)18-8-5-11-25-18)27-19(23)13-15-6-3-2-4-7-15/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,15,23,27,14,3,4,16,7,21,2,22,6,5,13,19,8,11,10,20,9,17,12,18/E:(3,4)(6,7)/rA:27nCCCCCCCCOCCOCCCCOOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16O5
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.02
Area:552.067
Solvation:-3.78165
Coulombic:-44.4744
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:360.359
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.41
LogP (Chemaxon):4.38

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Descriptor Annotations

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