Chemical ID: 4580291

COc1ccc(cc1)c2cc(=O)oc3c2ccc4c3CN(CO4)CCc5ccccc5
Chemical ID:
4580291
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)c2cc(=O)oc3c2ccc4c3CN(CO4)CCc5ccccc5
InChi [?]:
InChI=1/C26H23NO4/c1-29-20-9-7-19(8-10-20)22-15-25(28)31-26-21(22)11-12-24-23(26)16-27(17-30-24)14-13-18-5-3-2-4-6-18/h2-12,15H,13-14,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,28,30,27,31,5,7,4,8,16,17,25,24,10,20,22,26,6,3,15,9,19,18,11,14,21,12,2,23,13/E:(3,4)(5,6)(7,8)(9,10)/rA:31cCOCCCCCCCCCOOCCCCCCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s11;s13;s9s14;d15;s16;d17;d14s18;s19;s20;s21;s18s22;s21;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H23NO4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.7738
Area:642.653
Solvation:-5.29256
Coulombic:-40.5936
Bond Count [?]
All:35
Single:24
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:413.465
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.01
LogP (Chemaxon):5.4

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