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Name | 3-Nitrobenzyl benzoate |
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Molecular formula | C14H11NO4 |
IUPAC name | (3-nitrophenyl)methyl benzoate |
Molecular weight | 257.245 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 3.8 |
Synonyms | AC1L3WQE DTXSID10191933 ZINC466983 Benzoic acid 3-nitrobenzyl ester MCULE-3436937954 [ Show all ] |
Inchi Key | XYHCAQKUZAEVJN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C14H11NO4/c16-14(12-6-2-1-3-7-12)19-10-11-5-4-8-13(9-11)15(17)18/h1-9H,10H2 |
PubChem CID | 148251 |
ChEMBL | CHEMBL450030 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
403847 | Type-1A angiotensin II receptor | P29754 | Agtr1a | Mus musculus (Mouse) | 359 |
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