Chemical ID: 5538117

C1CCCN(CC1)c2c(c(c(c(n2)N)C#N)CC#N)C#N
Chemical ID:
5538117
Name [?]:
2-amino-6-azepan-1-yl-4-(cyanomethyl)pyridine-3,5-dicarbonitrile
SMILES [?]:
C1CCCN(CC1)c2c(c(c(c(n2)N)C#N)CC#N)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H16N6
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.58492
Area:469.402
Solvation:-3.15013
Coulombic:-35.7397
Bond Count [?]
All:22
Single:16
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:280.328
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.25
LogP (Chemaxon):2.33

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue