ChemDB: Chemical Search
Download
Chemical ID: 4946294
Chemical ID:
4946294
Name [?]:
None
SMILES [?]:
c1ccc(cc1)COc2cccc(c2)c3cc(=O)c4cc5c(cc4[nH]3)OCO5
InChi [?]:
InChI=1/C23H17NO4/c25-21-11-19(24-20-12-23-22(10-18(20)21)27-14-28-23)16-7-4-8-17(9-16)26-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,3,5,12,10,14,20,16,23,7,27,4,13,9,19,15,24,17,21,22,25,18,8,28,26/E:(2,3)(5,6)/rA:28nCCCCCCCOCCCCCCCCCOCCCCCCNOCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;d15;s16;d17;s17;s19;d20;s21;d22;d19s23;s15s24;s22;s26;s21s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17NO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59402 |
Area: | 584.651 |
Solvation: | -5.02225 |
Coulombic: | -44.59 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 371.385 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.65 |
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 |
---|