ChemDB: Chemical Search
Download
Chemical ID: 4924576
Chemical ID:
4924576
Name [?]:
N-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-methanimine
SMILES [?]:
COc1ccc(cc1)N=Cc2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C17H19NO4/c1-19-14-7-5-13(6-8-14)18-11-12-9-15(20-2)17(22-4)16(10-12)21-3/h5-11H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,22,20,5,7,4,8,16,12,10,11,6,3,15,13,14,9,2,17,21,19/E:(2,3)(5,6)(7,8)(9,10)(15,16)(20,21)/rA:22nCOCCCCCCNCCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s13;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.52034 |
Area: | 466.315 |
Solvation: | -7.13755 |
Coulombic: | -33.7662 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 301.337 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.63 |
LogP (Chemaxon): | 3.24 |
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 |
---|