Chemical ID: 4569162

c1ccc(cc1)c2coc3c2cc4c(c3)oc(=O)c5c4CCCCC5
Chemical ID:
4569162
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2coc3c2cc4c(c3)oc(=O)c5c4CCCCC5
InChi [?]:
InChI=1/C22H18O3/c23-22-16-10-6-2-5-9-15(16)17-11-18-19(14-7-3-1-4-8-14)13-24-20(18)12-21(17)25-22/h1,3-4,7-8,11-13H,2,5-6,9-10H2
InChi Info:
AuxInfo=1/0/N:1,23,2,6,22,24,3,5,21,25,12,15,8,4,20,19,13,11,7,10,14,17,18,9,16/E:(3,4)(7,8)/rA:25nCCCCCCCCOCCCCCCOCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7s10;d11;s12;d13;d10s14;s14;s16;d17;s17;s13d19;s20;s21;s22;s23;s19s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.99395
Area:511.57
Solvation:-2.79531
Coulombic:-28.3415
Bond Count [?]
All:29
Single:20
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:330.377
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.33
LogP (Chemaxon):6.0

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