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Chemical ID: 4663081
Chemical ID:
4663081
Name [?]:
4-methoxy-2,6-dimethyl-1-oxido-pyridine
SMILES [?]:
Cc1cc(cc([n+]1[O-])C)OC
InChi [?]:
InChI=1/C8H11NO2/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,11,3,5,2,6,4,7,8,10/E:(1,2)(4,5)(6,7)/CRV:9.5/rA:11nCCCCCCN+O-COC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11NO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -2.45145 |
Area: | 310.791 |
Solvation: | -10.2212 |
Coulombic: | -16.9807 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 153.178 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.79 |
LogP (Chemaxon): | -0.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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