ChemDB: Chemical Search
Download
Chemical ID: 4375442
Chemical ID:
4375442
Name [?]:
2-[3-(4-acetoxybenzoyl)aminobenzoyl]aminobenzoic acid
SMILES [?]:
CC(=O)Oc1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C23H18N2O6/c1-14(26)31-18-11-9-15(10-12-18)21(27)24-17-6-4-5-16(13-17)22(28)25-20-8-3-2-7-19(20)23(29)30/h2-13H,1H3,(H,24,27)(H,25,28)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,26,25,16,17,15,27,24,7,9,6,10,19,2,8,18,14,5,28,23,11,20,29,13,22,3,12,21,30,31,4/E:(9,10)(11,12)(29,30)/rA:31nCCOOCCCCCCCONCCCCCCCONCCCCCCCOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N2O6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4169 |
Area: | 648.942 |
Solvation: | -4.80667 |
Coulombic: | -88.161 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 418.399 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.82 |
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 |
---|