ChemDB: Chemical Search
Download
Chemical ID: 5292475
Chemical ID:
5292475
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)O)Cc5ccco5
InChi [?]:
InChI=1/C23H17NO5/c1-13-4-9-18-17(11-13)21(26)19-20(14-5-7-15(25)8-6-14)24(23(27)22(19)29-18)12-16-3-2-10-28-16/h2-11,20,25H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,27,26,3,18,22,19,21,4,28,7,24,2,17,20,25,6,5,10,16,8,11,13,15,23,9,14,29,12/E:(5,6)(7,8)/rA:29cCCCCCCCCOCCOCONCCCCCCCOCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17NO5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.86655 |
Area: | 582.385 |
Solvation: | -5.69308 |
Coulombic: | -57.1039 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 387.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.86 |
LogP (Chemaxon): | 3.56 |
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 |
---|