ChemDB: Chemical Search
Download
Chemical ID: 6825870
Chemical ID:
6825870
Name [?]:
None
SMILES [?]:
COc1cc(ccc1O)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C26H19NO7/c1-31-20-11-15(7-8-17(20)28)23-22-24(29)16-4-2-3-5-18(16)34-25(22)26(30)27(23)12-14-6-9-19-21(10-14)33-13-32-19/h2-11,23,28H,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,18,27,6,7,28,31,4,25,33,26,5,14,8,19,29,3,30,11,10,12,21,22,24,9,13,23,2,34,32,20/rA:34cCOCCCCCCOCCCOCCCCCCOCCONCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;d27;s28;d29;d26s30;s30;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H19NO7 |
All Atoms: | 53 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.39156 |
Area: | 598.123 |
Solvation: | -7.56152 |
Coulombic: | -74.2359 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 457.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.4 |
LogP (Chemaxon): | 3.58 |
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 |
---|