Chemical ID: 6703414

c1ccc(cc1)C2CC3=C(C(C(=C(O3)N)C#N)c4ccc[nH+]c4)C(=O)C2
Chemical ID:
6703414
Name [?]:
2-amino-5-oxo-7-phenyl-4-(1H-pyridin-5-yl)-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILES [?]:
c1ccc(cc1)C2CC3=C(C(C(=C(O3)N)C#N)c4ccc[nH+]c4)C(=O)C2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H18N3O2+
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:-21.8478
Area:529.362
Solvation:-35.0818
Coulombic:-26.0358
Bond Count [?]
All:29
Single:19
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:344.387
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.87
LogP (Chemaxon):1.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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