ChemDB: Chemical Search
Download
Chemical ID: 6047234
Chemical ID:
6047234
Name [?]:
methyl 1-nitroso-5,6-dihydro-2H-pyridine-3-carboxylate
SMILES [?]:
COC(=O)C1=CCCN(C1)N=O
InChi [?]:
InChI=1/C7H10N2O3/c1-12-7(10)6-3-2-4-9(5-6)8-11/h3H,2,4-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,10,5,3,11,9,4,12,2/rA:12nCOCOCCCCNCNO/rB:s1;s2;d3;s3;d5;s6;s7;s8;s5s9;s9;d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10N2O3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.33632 |
Area: | 335.144 |
Solvation: | -2.04228 |
Coulombic: | -23.4881 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 170.166 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | -0.2 |
LogP (Chemaxon): | 0.03 |
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 |
---|