acrylonitrile
Identification (Source:EPA,EU)
| ID |
1390 |
| Name |
acrylonitrile |
| CAS |
107-13-1 |
| IUPAC |
acrylonitrile |
| Inchi |
InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 |
| CIPAC |
|
| EPA Code |
|
| Formula |
C3H3N |
| SMILES |
N#CC([H])=C([H])[H] |
| Status |
Not Available |
Classification
Properties (Source:PubChem)
| Molecular Weight |
53.06262 |
| Physical State |
|
| AlogP |
0.742 |
| H-Bond Donor |
0 |
| H-Bond Acceptor |
1 |
| Surface Area |
73.71 |
| Polar Surface Area |
23.79 |
Structure
Related targets
| Target Name |
RScore (About this table) |
|
|
CYP2E1
|
660(7,8,9,65) |
Details |
|
hemoglobin (protein family or complex)
|
813(6,13,24,68) |
Details |
|
cytochrome P450 (protein family or complex)
|
343(3,5,7,33) |
Details |
|
nitrilase (protein family or complex)
|
260(2,4,7,25) |
Details |
|
lipase
|
203(2,2,6,23) |
Details |
|
Acetylcholinesterase
|
172(2,2,3,7) |
Details |
|
Lipoxygenase (protein family or complex)
|
166(2,2,2,6) |
Details |
|
catalase
|
131(1,2,2,21) |
Details |
|
glutathione S transferase
|
100(1,1,3,10) |
Details |
|
brains
|
96(1,1,2,11) |
Details |
|
glutathione transferases
|
92(1,1,2,7) |
Details |
|
parvalbumin
|
91(1,1,2,6) |
Details |
|
protein kinase C (protein family or complex)
|
89(1,1,1,9) |
Details |
|
CMRP
|
87(1,1,2,2) |
Details |
|
glyceraldehyde 3 phosphate dehydrogenase
|
87(1,1,1,7) |
Details |
|
sorbitol dehydrogenase
|
87(1,1,2,2) |
Details |
|
trehalases
|
87(1,1,2,2) |
Details |
|
p21 protein
|
85(1,1,1,5) |
Details |
|
carbonic anhydrase
|
85(1,1,1,5) |
Details |
|
Cytochrome c oxidase (protein family or complex)
|
85(1,1,1,5) |
Details |
|
alkaline phosphatase
|
85(1,1,1,5) |
Details |
|
FLT3
|
84(1,1,1,4) |
Details |
|
lactoperoxidase
|
82(1,1,1,2) |
Details |
|
MRP8
|
82(1,1,1,2) |
Details |
|
p38
|
82(1,1,1,2) |
Details |
|
alcohol dehydrogenase (protein family or complex)
|
81(1,1,1,1) |
Details |
|
L selectin
|
81(1,1,1,1) |
Details |
|
MAPK (protein family or complex)
|
81(1,1,1,1) |
Details |
|
thymidine kinase
|
81(1,1,1,1) |
Details |
|
mM 1
|
81(1,1,1,1) |
Details |
|
cytokine receptor (protein family or complex)
|
81(1,1,1,1) |
Details |
|
xanthine oxidase
|
94(0,3,3,4) |
Details |
|
epoxide hydrolases
|
77(0,2,3,12) |
Details |
|
methemoglobin
|
67(0,2,2,7) |
Details |
|
ATPase
|
47(0,1,3,7) |
Details |
|
cholinesterase
|
46(0,1,3,6) |
Details |
|
HEMA
|
45(0,1,3,5) |
Details |
|
CD11b
|
35(0,1,1,5) |
Details |
|
monocyte chemotactic protein 1
|
33(0,1,1,3) |
Details |
|
CXCR4
|
32(0,1,1,2) |
Details |
|
5 HT 6
|
32(0,1,1,2) |
Details |
|
complex is
|
32(0,1,1,2) |
Details |
|
beta lactoglobulin
|
31(0,1,1,1) |
Details |
|
alpha lactalbumin
|
31(0,1,1,1) |
Details |
|
C3a
|
60(0,0,5,35) |
Details |
|
beta 2 microglobulin
|
47(0,0,4,27) |
Details |
|
bradykinin
|
27(0,0,0,27) |
Details |
|
GSTT1
|
22(0,0,2,12) |
Details |
|
IL 1 beta
|
21(0,0,0,21) |
Details |
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