ChemDB: Chemical Search
Download
Chemical ID: 5803089
Chemical ID:
5803089
Name [?]:
N-(4-hydroxy-3-methyl-phenyl)benzamide
SMILES [?]:
Cc1cc(ccc1O)NC(=O)c2ccccc2
InChi [?]:
InChI=1/C14H13NO2/c1-10-9-12(7-8-13(10)16)15-14(17)11-5-3-2-4-6-11/h2-9,16H,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,5,6,3,2,12,4,7,10,9,8,11/E:(3,4)(5,6)/rA:17nCCCCCCCONCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.83807 |
Area: | 413.429 |
Solvation: | -2.49766 |
Coulombic: | -38.9467 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 227.259 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.39 |
LogP (Chemaxon): | 3.29 |
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 |
---|