Chemical ID: 6512731

CC(=O)CC(=O)NCc1ccncc1
Chemical ID:
6512731
Name [?]:
3-oxo-N-(4-pyridylmethyl)butanamide
SMILES [?]:
CC(=O)CC(=O)NCc1ccncc1
InChi [?]:
InChI=1/C10H12N2O2/c1-8(13)6-10(14)12-7-9-2-4-11-5-3-9/h2-5H,6-7H2,1H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,10,14,11,13,4,8,2,9,5,12,7,3,6/E:(2,3)(4,5)/rA:14nCCOCCONCCCCNCC/rB:s1;d2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.47642
Area:382.242
Solvation:-5.07963
Coulombic:-27.9672
Bond Count [?]
All:14
Single:9
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:192.215
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.21
LogP (Chemaxon):0.09

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Descriptor Annotations

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