nitrostyrene

Identification (Source:EPA,EU)

ID 728
Name nitrostyrene
CAS 950-00-5
IUPAC
Inchi InChI=1S/C10H8N2O2S/c1-8(12(13)14)6-9-2-4-10(5-3-9)15-7-11/h2-6H,1H3
CIPAC
EPA Code
Formula C10H8N2O2S
SMILES S(C#N)c(c([H])c([H])c1\C([H])=C(\C([H])([H])[H])/[N+](=O)[O-])c([H])c1[H]
Status Not Available

Classification

Mode of Action
Pesticide Type
Chemical Group
Classification unclassified fungicides

Properties (Source:PubChem)

Molecular Weight 220.24771
Physical State
AlogP 2.797
H-Bond Donor 0
H-Bond Acceptor 4
Surface Area 222.48
Polar Surface Area 94.91

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Related targets

Target Name RScore (About this table)
PP2A 163(2,2,2,3) Details
protein tyrosine phosphatases 163(2,2,2,3) Details
platelet glycoprotein IIb 115(1,2,2,5) Details
caspase 3 88(1,1,1,8) Details
soluble epoxide hydrolase 87(1,1,1,7) Details
Telomerase (protein family or complex) 84(1,1,1,4) Details
thrombin 82(1,1,1,2) Details
Cl 2 82(1,1,1,2) Details
arylesterase 82(1,1,1,2) Details
PTP1B 82(1,1,1,2) Details
IL12 (protein family or complex) 82(1,1,1,2) Details
PTB1 81(1,1,1,1) Details
keratins (protein family or complex) 81(1,1,1,1) Details
protein phosphatases 81(1,1,1,1) Details
epoxide hydrolase 140(0,3,6,35) Details
glutathione S transferase 35(0,1,1,5) Details
SPAR 32(0,1,1,2) Details
IL6 32(0,1,1,2) Details
phospholipase A2 31(0,1,1,1) Details
polymerases 31(0,1,1,1) Details
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