Chemical ID: 5786930

COc1ccc(cc1OC)C2C(C(=O)NC(=C2C#N)O)[n+]3ccccc3
Chemical ID:
5786930
Name [?]:
4-(3,4-dimethoxyphenyl)-2-hydroxy-6-oxo-5-(1-pyridyl)-4,5-dihydro-1H-pyridine-3-carbonitrile
SMILES [?]:
COc1ccc(cc1OC)C2C(C(=O)NC(=C2C#N)O)[n+]3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18N3O4+
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:-24.1384
Area:534.211
Solvation:-37.4936
Coulombic:-25.3011
Bond Count [?]
All:28
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.364
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.87
LogP (Chemaxon):-2.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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