Chemical ID: 6847029

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)c4ccc(o4)Br)C
Chemical ID:
6847029
Name [?]:
[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl] 5-bromofuran-2-carboxylate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)c4ccc(o4)Br)C
InChi [?]:
InChI=1/C23H17BrO6/c1-12-10-13(2)20-16(11-12)19(25)22(30-23(26)17-8-9-18(24)28-17)21(29-20)14-4-6-15(27-3)7-5-14/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,20,14,18,15,17,25,26,3,7,2,4,13,16,6,24,27,8,5,11,10,22,29,9,23,19,28,12,21/E:(4,5)(6,7)/rA:30nCCCCCCCCOCCOCCCCCCOCOCOCCCCOBrC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;d22;s22;d24;s25;d26;s24s27;s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17BrO6
All Atoms:47
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.3532
Area:626.471
Solvation:-4.30854
Coulombic:-54.3295
Bond Count [?]
All:33
Single:22
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:469.281
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.54
LogP (Chemaxon):4.91

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