Chemical ID: 5752982

c1ccc2c(c1)CCCN2c3c(cno3)C#N
Chemical ID:
5752982
Name [?]:
5-(3,4-dihydro-2H-quinolin-1-yl)isoxazole-4-carbonitrile
SMILES [?]:
c1ccc2c(c1)CCCN2c3c(cno3)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H11N3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.35088
Area:393.822
Solvation:-2.49468
Coulombic:-14.4533
Bond Count [?]
All:19
Single:13
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:225.246
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.98
LogP (Chemaxon):2.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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