Chemical ID: 5002237

CCC(=O)Cc1cnccn1
Chemical ID:
5002237
Name [?]:
1-pyrazin-2-ylbutan-2-one
SMILES [?]:
CCC(=O)Cc1cnccn1
InChi [?]:
InChI=1/C8H10N2O/c1-2-8(11)5-7-6-9-3-4-10-7/h3-4,6H,2,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,10,5,7,6,3,8,11,4/rA:11nCCCOCCCNCCN/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10N2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.28335
Area:317.664
Solvation:-3.65825
Coulombic:-13.6831
Bond Count [?]
All:11
Single:7
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:150.178
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.04
LogP (Chemaxon):0.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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