ChemDB: Chemical Search
Download
Chemical ID: 4663705
Chemical ID:
4663705
Name [?]:
4-phenylpiperidine-2,6-dione
SMILES [?]:
c1ccc(cc1)C2CC(=O)NC(=O)C2
InChi [?]:
InChI=1/C11H11NO2/c13-10-6-9(7-11(14)12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,14,4,7,9,12,11,10,13/E:(2,3)(4,5)(6,7)(10,11)(13,14)/rA:14nCCCCCCCCCONCOC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s7s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.14362 |
Area: | 354.146 |
Solvation: | -2.71003 |
Coulombic: | -28.2592 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 189.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.77 |
LogP (Chemaxon): | 0.87 |
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 |
---|