2-Nitroethanol
AlkaPlorer ID: AK319874
Synonym: None
IUPAC Name: 2-nitroethanol
Structure
SMILES: O=[N+]([O-])CCO
InChI: InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2
InChIKey: KIPMDPDAFINLIV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pterocarpus indicus | Pterocarpus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 91.066
TPSA？: 63.370000000000005
MolLogP？: -0.7446000000000002
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 17782.8 | nM | None |
| Homo sapiens | Cellular tumor antigen p53 | Potency | 28183.8 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 100000.0 | nM | None |
| Homo sapiens | Lymphoblastoid cell | Potency | 79432.8 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 4466.8 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 56234.1 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 16511.3 | nM | None |
| Schistosoma mansoni | Thioredoxin glutathione reductase | Potency | 2511.9 | nM | None |
| None | No relevant target | LogP | -0.42 | None | 10.1021/jm00381a013 |