Basic information
- CAS
62970-28-9- Standard SMILES
O=c1[nH]nc(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12- InChIKey
MLAADDJNVMHSGZ-UHFFFAOYSA-N- Molecular formula
- C15H11N3O3
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.08004122
Names & identifiers
- Preferred name
- Zinc00493033
- IUPAC
- 4-[(4-nitrophenyl)methyl]-2H-phthalazin-1-one
Names & synonyms
62970-28-9ZINC00493033DTXSID10358685RefChem:388660DTXCID803097404-(4-nitrobenzyl)phthalazin-1(2H)-oneOprea1_401856MLS001163889CHEMBL1353965HMS2883F114-(4-nitrobenzyl)phthalazin-1-olSTL559710
Show more names
AKOS022142263AKOS037516733SMR0005393624-[(4-Nitrophenyl)methyl]phthalazin-1(2H)-one
Database identifiers
- CAS
62970-28-9- PubChem CID
- 910146
- DTXSID
DTXSID10358685- ChEMBL
CHEMBL1353965
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 450
Experimental & physicochemical properties
Solubility11.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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