ChemDB: Chemical Search
Download
Chemical ID: 7080239
Chemical ID:
7080239
Name [?]:
None
SMILES [?]:
CCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCOC)C
InChi [?]:
InChI=1/C23H23NO5/c1-4-28-16-7-5-6-15(13-16)20-19-21(25)17-12-14(2)8-9-18(17)29-22(19)23(26)24(20)10-11-27-3/h5-9,12-13,20H,4,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,28,2,6,7,5,17,18,25,26,15,9,16,8,4,14,19,11,10,12,21,22,24,13,23,27,3,20/rA:29cCCOCCCCCCCCCOCCCCCCOCCONCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO5 |
All Atoms: | 52 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.86587 |
Area: | 611.556 |
Solvation: | -5.42303 |
Coulombic: | -50.3684 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 393.432 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.0 |
LogP (Chemaxon): | 3.05 |
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 |
---|