ChemDB: Chemical Search
Download
Chemical ID: 6724181
Chemical ID:
6724181
Name [?]:
5-hydroxy-2-[2-(4-methoxyphenyl)acetyl]amino-benzoate
SMILES [?]:
COc1ccc(cc1)CC(=O)Nc2ccc(cc2C(=O)[O-])O
InChi [?]:
InChI=1/C16H15NO5/c1-22-12-5-2-10(3-6-12)8-15(19)17-14-7-4-11(18)9-13(14)16(20)21/h2-7,9,18H,8H2,1H3,(H,17,19)(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,5,7,15,4,8,14,9,17,6,16,3,18,13,10,19,12,22,11,20,21,2/E:(2,3)(5,6)(20,21)/rA:22nCOCCCCCCCCONCCCCCCCOO-O/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14NO5- |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.4739 |
Area: | 495.099 |
Solvation: | -42.8513 |
Coulombic: | -45.7603 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 300.286 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.67 |
LogP (Chemaxon): | 2.85 |
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 |
---|