ChemDB: Chemical Search
Download
Chemical ID: 5838477
Chemical ID:
5838477
Name [?]:
2-[2-(2-chlorophenoxy)acetyl]amino-5-hydroxy-benzoic acid
SMILES [?]:
c1ccc(c(c1)OCC(=O)Nc2ccc(cc2C(=O)O)O)Cl
InChi [?]:
InChI=1/C15H12ClNO5/c16-11-3-1-2-4-13(11)22-8-14(19)17-12-6-5-9(18)7-10(12)15(20)21/h1-7,18H,8H2,(H,17,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,14,13,16,8,15,17,4,12,5,9,18,22,11,21,10,19,20,7/E:(20,21)/rA:22nCCCCCCOCCONCCCCCCCOOOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClNO5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.37996 |
Area: | 511.747 |
Solvation: | -5.41371 |
Coulombic: | -71.5178 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.712 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.73 |
LogP (Chemaxon): | 3.28 |
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 |
---|