ChemDB: Chemical Search
Download
Chemical ID: 6525174
Chemical ID:
6525174
Name [?]:
4-(4-bromobenzoyl)amino-2-hydroxy-benzoic acid
SMILES [?]:
c1cc(ccc1C(=O)Nc2ccc(c(c2)O)C(=O)O)Br
InChi [?]:
InChI=1/C14H10BrNO4/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-11(14(19)20)12(17)7-10/h1-7,17H,(H,16,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,12,15,6,3,10,13,14,7,17,20,9,16,8,18,19/E:(1,2)(3,4)(19,20)/rA:20nCCCCCCCONCCCCCCOCOOBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s13;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10BrNO4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08354 |
Area: | 471.263 |
Solvation: | -3.69805 |
Coulombic: | -64.6391 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 336.138 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 4.2 |
LogP (Chemaxon): | 3.78 |
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 |
---|