ChemDB: Chemical Search
Download
Chemical ID: 6381248
Chemical ID:
6381248
Name [?]:
2-(2,4-dichlorophenoxy)-N-[(4-hydroxy-3-methoxy-phenyl)methyleneamino]propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)OC)O)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C17H16Cl2N2O4/c1-10(25-15-6-4-12(18)8-13(15)19)17(23)21-20-9-11-3-5-14(22)16(7-11)24-2/h3-10,22H,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,15,9,20,10,19,13,22,7,2,8,21,23,11,18,12,3,25,24,6,5,16,4,14,17/rA:25cCCCONNCCCCCCCOCOOCCCCCCClCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s2;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16Cl2N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.88659 |
Area: | 595.084 |
Solvation: | -7.99052 |
Coulombic: | -48.9442 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 383.225 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.95 |
LogP (Chemaxon): | 4.05 |
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 |
---|