ChemDB: Chemical Search
Download
Chemical ID: 4559111
Chemical ID:
4559111
Name [?]:
3-(1-nitroso-2-piperidyl)pyridine
SMILES [?]:
c1cc(cnc1)C2CCCCN2N=O
InChi [?]:
InChI=1/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2
InChi Info:
AuxInfo=1/0/N:9,10,1,2,8,6,11,4,3,7,5,13,12,14/rA:14cCCCCNCCCCCCNNO/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;s7s11;s12;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N3O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.86083 |
Area: | 351.043 |
Solvation: | -1.91524 |
Coulombic: | -9.36642 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.23 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.15 |
LogP (Chemaxon): | 1.27 |
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 |
---|