ChemDB: Chemical Search
Download
Chemical ID: 7727848
Chemical ID:
7727848
Name [?]:
None
SMILES [?]:
Cc1c2ccc(cc2oc(=O)c1c3ccc(c(c3)OC)OC)OCC(=O)N
InChi [?]:
InChI=1/C20H19NO6/c1-11-14-6-5-13(26-10-18(21)22)9-16(14)27-20(23)19(11)12-4-7-15(24-2)17(8-12)25-3/h4-9H,10H2,1-3H3,(H2,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,20,14,5,4,15,18,7,24,2,13,6,3,16,8,17,25,12,10,27,26,11,21,19,23,9/rA:27nCCCCCCCCOCOCCCCCCCOCOCOCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d2s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s6;s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO6 |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.32659 |
Area: | 572.932 |
Solvation: | -8.99671 |
Coulombic: | -64.1135 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.12 |
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 |
---|