Chemical ID: 4559547

Cn1ccc(c(c1=O)C#N)OC
Chemical ID:
4559547
Name [?]:
4-methoxy-1-methyl-2-oxo-pyridine-3-carbonitrile
SMILES [?]:
Cn1ccc(c(c1=O)C#N)OC
InChi [?]:
InChI=1/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,4,3,9,6,5,7,10,2,8,11/rA:12nCNCCCCCOCNOC/rB:s1;s2;d3;s4;d5;s2s6;d7;s6;t9;s5;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.05953
Area:325.201
Solvation:-3.0705
Coulombic:-26.1379
Bond Count [?]
All:12
Single:8
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:164.161
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-0.09
LogP (Chemaxon):0.35

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Descriptor Annotations

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