ChemDB: Chemical Search
Download
Chemical ID: 6724712
Chemical ID:
6724712
Name [?]:
2-[2-(2-methylphenoxy)acetyl]aminobenzoate
SMILES [?]:
Cc1ccccc1OCC(=O)Nc2ccccc2C(=O)[O-]
InChi [?]:
InChI=1/C16H15NO4/c1-11-6-2-5-9-14(11)21-10-15(18)17-13-8-4-3-7-12(13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,4,16,15,5,3,17,14,6,9,2,18,13,7,10,19,12,11,20,21,8/E:(19,20)/rA:21nCCCCCCCOCCONCCCCCCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14NO4- |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.3552 |
Area: | 481.974 |
Solvation: | -42.4045 |
Coulombic: | -32.3051 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 284.287 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.68 |
LogP (Chemaxon): | 3.51 |
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 |
---|