Chemical ID: 5001992

CCC(=O)Cc1cccnc1
Chemical ID:
5001992
Name [?]:
1-(3-pyridyl)butan-2-one
SMILES [?]:
CCC(=O)Cc1cccnc1
InChi [?]:
InChI=1/C9H11NO/c1-2-9(11)6-8-4-3-5-10-7-8/h3-5,7H,2,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,5,11,6,3,10,4/rA:11nCCCOCCCCCNC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.1107
Area:320.963
Solvation:-2.91337
Coulombic:-10.6302
Bond Count [?]
All:11
Single:7
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:149.19
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.71
LogP (Chemaxon):1.54

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Experimental Annotations

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Descriptor Annotations

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