4-[bis(2-bromoethyl)amino]phenyl 4-nitrobenzoate
AlkaPlorer ID: AK319713
Synonym: None
IUPAC Name: [4-[bis(2-bromoethyl)amino]phenyl] 4-nitrobenzoate
Structure
SMILES: O=C(OC1=CC=C(N(CCBr)CCBr)C=C1)C1=CC=C([N+](=O)[O-])C=C1
InChI: InChI=1S/C17H16Br2N2O4/c18-9-11-20(12-10-19)14-5-7-16(8-6-14)25-17(22)13-1-3-15(4-2-13)21(23)24/h1-8H,9-12H2
InChIKey: SDAIMQSEPQFQJY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Citrus reticulata | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 472.1330000000001
TPSA？: 72.67999999999999
MolLogP？: 4.410200000000003
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Rattus norvegicus | log1/CLD50 | 5.37 | None | 10.1021/jm00199a004 |
| Rattus norvegicus | W256 | log1/CED90 | 4.86 | None | 10.1021/jm00199a004 |
| None | Unchecked | Ratio | 3.5 | None | 10.1021/jm00199a004 |