Molecular Identity
3899-90-9
(3-nitrophenyl) 4-methylbenzenesulfonate
PubChem CID: 94890
2D Structure
Properties
C13H11NO5S
Molecular Formula
293.30
Molecular Weight
g/mol
293.0358
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
97.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
431
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
3899-90-9m-Nitrophenyl tosylate3-Nitrophenyl tosylatep-Toluenesulfonic acid, m-nitrophenyl esterBRN 2663852AI3-03741Benzenesulfonic acid, 4-methyl-, 3-nitrophenyl esterDTXSID601922734-11-00-00272 (Beilstein Handbook Reference)NSC 6905RefChem:169389DTXCID70114764622-247-93-Nitrophenyl 4-methylbenzenesulfonatep-Toluenesulfonic Acid 3-Nitrophenyl Ester
Data from PubChem (NCBI)
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Drug Network
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