ChemDB: Chemical Search
Download
Chemical ID: 7639232
Chemical ID:
7639232
Name [?]:
None
SMILES [?]:
CC(=O)NC1c2cc(=O)c(ccc2-c3c(cc(c(c3OC)OC)OC)CC1O)OC
InChi [?]:
InChI=1/C22H25NO7/c1-11(24)23-20-14-10-15(25)17(27-2)7-6-13(14)19-12(8-16(20)26)9-18(28-3)21(29-4)22(19)30-5/h6-7,9-10,16,20,26H,8H2,1-5H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,30,25,23,21,12,11,26,16,7,2,15,13,6,8,27,10,17,14,5,18,19,4,3,9,28,29,24,22,20/rA:30cCCONCCCCOCCCCCCCCCCOCOCOCCCOOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;s8;d10;s11;s6d12;s13;s14;d15;s16;d17;d14s18;s19;s20;s18;s22;s17;s24;s15;s5s26;s27;s10;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25NO7 |
All Atoms: | 55 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.29132 |
Area: | 587.954 |
Solvation: | -9.40752 |
Coulombic: | -74.2448 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.89 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|