4-Nitrophenol; Me ether
AlkaPlorer ID: AK307910
Synonym: 1-Methoxy-4-nitrobenzene, p-Nitroanisole
IUPAC Name: 1-methoxy-4-nitrobenzene
Structure
SMILES: COC1=CC=C([N+](=O)[O-])C=C1
InChI: InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChIKey: BNUHAJGCKIQFGE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lepista diemii | Lepista | Clitocybaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 153.137
TPSA？: 52.370000000000005
MolLogP？: 1.6033999999999995
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Serum albumin | Log 1/C | 4.0 | None | 10.1021/jm00118a010 |
| Rattus norvegicus | Rattus norvegicus | Rate | 102600.0 | pM | 10.1021/jm00182a020 |
| Rattus norvegicus | Rattus norvegicus | Rate | 229400.0 | pM | 10.1021/jm00182a020 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | Activity | -2.7 | None | 10.1021/jm00106a046 |
| None | ADMET | Log k' w | 1.857 | None | 10.1021/jm00118a010 |
| None | No relevant target | LogP | 2.03 | None | 10.1021/jm00106a046 |
| None | No relevant target | LogP | 2.03 | None | 10.1021/jm00118a010 |