Chemical ID: 4909104

CC(=O)NC1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)O
Chemical ID:
4909104
Name [?]:
None
SMILES [?]:
CC(=O)NC1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)O
InChi [?]:
InChI=1/C21H23NO6/c1-11(23)22-15-7-5-12-9-17(25)20(27-3)21(28-4)19(12)13-6-8-18(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,27,25,7,21,6,20,9,16,2,8,14,15,5,17,10,19,13,11,12,4,3,18,28,22,26,24/rA:28cCCONCCCCCCCCCCCCCOCCCOCOCOCO/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s5s14;d15;s16;d17;s17;d19;d14s20;s19;s22;s12;s24;s11;s26;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:5.98714
Area:560.046
Solvation:-8.014
Coulombic:-66.4581
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:385.41
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.31
LogP (Chemaxon):1.63

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