ChemDB: Chemical Search
Download
Chemical ID: 6564962
Chemical ID:
6564962
Name [?]:
(2,4,5-trichlorophenyl)carbamoylmethyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCC(=O)Nc2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C17H14Cl3NO4/c1-2-24-11-5-3-10(4-6-11)17(23)25-9-16(22)21-15-8-13(19)12(18)7-14(15)20/h3-8H,2,9H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,5,9,21,18,13,7,4,20,19,22,17,14,10,24,25,23,16,15,11,3,12/E:(3,4)(5,6)/rA:25nCCOCCCCCCCOOCCONCCCCCCClClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14Cl3NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.194 |
Area: | 618.733 |
Solvation: | -4.27429 |
Coulombic: | -48.9258 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 402.655 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.9 |
LogP (Chemaxon): | 3.67 |
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 |
---|