ChemDB: Chemical Search
Download
Chemical ID: 6378185
Chemical ID:
6378185
Name [?]:
methyl 4-(2,5-dichlorobenzoyl)aminobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)NC(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2NO3/c1-21-15(20)9-2-5-11(6-3-9)18-14(19)12-8-10(16)4-7-13(12)17/h2-8H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,10,17,7,9,18,15,5,16,8,14,19,12,3,21,20,11,13,4,2/E:(2,3)(5,6)/rA:21nCOCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81421 |
Area: | 513.026 |
Solvation: | -3.01145 |
Coulombic: | -41.8819 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.158 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.17 |
LogP (Chemaxon): | 3.69 |
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 |
---|