Stk156605
Basic information
- CAS
6039-42-5- Standard SMILES
O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1CCCO- InChIKey
CFKSLSCNQRNFDW-UHFFFAOYSA-N- Molecular formula
- C17H14N2O6
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.08518617
Names & identifiers
- Preferred name
- Stk156605
- IUPAC
- 2-(3-hydroxypropyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
Names & synonyms
STK1566056039-42-5DTXSID40367407RefChem:382119DTXCID503184452-(3-hydroxypropyl)-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dioneCBMicro_003587Oprea1_797888MLS001181287CHEMBL13618562-(3-hydroxypropyl)-5-(4-nitrophenoxy)isoindole-1,3-dioneHMS2815I23
Show more names
SMSF0011896AKOS003273756CB05344SMR000502437BIM-0003700.P001SR-01000225710SR-01000225710-1
Database identifiers
- CAS
6039-42-5- PubChem CID
- 2264883
- DTXSID
DTXSID40367407- ChEMBL
CHEMBL1361856
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 526
Experimental & physicochemical properties
Solubility49 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…