ChemDB: Chemical Search
Download
Chemical ID: 6909205
Chemical ID:
6909205
Name [?]:
3-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]aminopropanoate
SMILES [?]:
Cc1ccc2c(c1)c(=NCCC(=O)[O-])cc(o2)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C21H21NO5/c1-13-4-6-17-15(10-13)16(22-9-8-21(23)24)12-19(27-17)14-5-7-18(25-2)20(11-14)26-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,24)/p-1
InChi Info:
AuxInfo=1/1/N:1,27,25,3,19,4,20,11,10,7,23,15,2,18,6,8,5,21,16,22,12,9,13,14,26,24,17/E:(23,24)/rA:27nCCCCCCCCNCCCOO-CCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;s11;d12;s12;s8;d15;s5s16;s16;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20NO5- |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.7861 |
Area: | 593.637 |
Solvation: | -45.627 |
Coulombic: | -28.9554 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.387 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.9 |
LogP (Chemaxon): | 1.69 |
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 |
---|