Chemical ID: 4563899

Cc1c2c(cc3c1occ3c4ccc(cc4)OC)c5ccc(cc5c(=O)o2)OC
Chemical ID:
4563899
Name [?]:
None
SMILES [?]:
Cc1c2c(cc3c1occ3c4ccc(cc4)OC)c5ccc(cc5c(=O)o2)OC
InChi [?]:
InChI=1/C24H18O5/c1-13-22-19(21(12-28-22)14-4-6-15(26-2)7-5-14)11-18-17-9-8-16(27-3)10-20(17)24(25)29-23(13)18/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,29,12,16,13,15,21,20,23,5,9,2,11,14,22,19,4,6,24,10,7,3,25,26,17,28,8,27/E:(4,5)(6,7)/rA:29nCCCCCCCOCCCCCCCCOCCCCCCCCOOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6d9;s10;s11;d12;s13;d14;d11s15;s14;s17;s4;s19;d20;s21;d22;d19s23;s24;d25;s3s25;s22;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.89262
Area:582.796
Solvation:-5.67727
Coulombic:-41.0568
Bond Count [?]
All:33
Single:22
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:386.397
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.4
LogP (Chemaxon):5.34

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