ChemDB: Chemical Search
Download
Chemical ID: 5242023
Chemical ID:
5242023
Name [?]:
N-[2-(hydroxymethyl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccccc1CO
InChi [?]:
InChI=1/C9H11NO2/c1-7(12)10-9-5-3-2-4-8(9)6-11/h2-5,11H,6H2,1H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,8,7,9,6,11,2,10,5,4,12,3/rA:12nCCONCCCCCCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.24704 |
Area: | 331.793 |
Solvation: | -3.04778 |
Coulombic: | -36.2475 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 165.189 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.89 |
LogP (Chemaxon): | 0.84 |
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 |
---|