Chemical ID: 6847135

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccccc4I)C
Chemical ID:
6847135
Name [?]:
[2-(2-furyl)-6,8-dimethyl-4-oxo-chromen-3-yl] 2-iodobenzoate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccccc4I)C
InChi [?]:
InChI=1/C22H15IO5/c1-12-10-13(2)19-15(11-12)18(24)21(20(27-19)17-8-5-9-26-17)28-22(25)14-6-3-4-7-16(14)23/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,23,24,15,22,25,14,16,3,7,2,4,21,6,26,13,8,5,11,10,19,27,9,20,17,12,18/rA:28nCCCCCCCCOCCOCCCCOOCOCCCCCCIC/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;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15IO5
All Atoms:43
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4126
Area:582.084
Solvation:-3.13948
Coulombic:-45.9365
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:486.256
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.89
LogP (Chemaxon):5.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue