ChemDB: Chemical Search
Download
Chemical ID: 3965224
Chemical ID:
3965224
Name [?]:
(4-acetamidophenyl) 2-hydroxybenzoate
SMILES [?]:
CC(=O)Nc1ccc(cc1)OC(=O)c2ccccc2O
InChi [?]:
InChI=1/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,18,6,10,7,9,2,5,8,14,19,12,4,3,20,13,11/E:(6,7)(8,9)/rA:20nCCONCCCCCCOCOCCCCCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13NO4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.64141 |
Area: | 465.693 |
Solvation: | -4.00092 |
Coulombic: | -54.7502 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 271.268 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.93 |
LogP (Chemaxon): | 2.97 |
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 |
---|