3,4-Methylenedioxy-beta-nitrostyrene
5-[(E)-2-nitroethenyl]-1,3-benzodioxole
Molecular Identity
3,4-Methylenedioxy-beta-nitrostyrene
5-[(E)-2-nitroethenyl]-1,3-benzodioxole
PubChem CID: 672296
2D Structure
Properties
C9H7NO4
Molecular Formula
193.16
Molecular Weight
g/mol
193.0375
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
64.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
248
Complexity
SMILES
Canonical SMILES
SMILES: C1OC2=C(O1)C=C(C=C2)C=C[N+](=O)[O-]Isomeric SMILES
SMILES: C1OC2=C(O1)C=C(C=C2)/C=C/[N+](=O)[O-]Synonyms(20)
3,4-Methylenedioxy-beta-nitrostyreneSyk Inhibitor IIINSC 101201,3-Benzodioxole, 5-(2-nitroethenyl)-NSC 105303NSC 1707244C25J4B9PJ5-[(E)-2-nitroethenyl]-2H-1,3-benzodioxoleNSC-10120NSC-105303NSC-170724MNS cpd5-((E)-2-nitroethenyl)-2H-1,3-benzodioxoleRefChem:486414622-830-8
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 3,4-Methylenedioxy-beta-nitrostyrene
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