ChemDB: Chemical Search
Download
Chemical ID: 6891378
Chemical ID:
6891378
Name [?]:
2-(4-methoxyphenyl)-4-(2-pyridylimino)chromen-6-ol
SMILES [?]:
COc1ccc(cc1)c2cc(=Nc3ccccn3)c4cc(ccc4o2)O
InChi [?]:
InChI=1/C21H16N2O3/c1-25-16-8-5-14(6-9-16)20-13-18(23-21-4-2-3-11-22-21)17-12-15(24)7-10-19(17)26-20/h2-13,24H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,5,7,22,4,8,23,17,20,10,6,21,3,19,11,24,9,13,18,12,26,2,25/E:(5,6)(8,9)/rA:26nCOCCCCCCCCCNCCCCCNCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;d19s23;s9s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16N2O3 |
All Atoms: | 42 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70944 |
Area: | 526.579 |
Solvation: | -4.45503 |
Coulombic: | -42.7358 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 344.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.27 |
LogP (Chemaxon): | 4.99 |
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 |
---|