2-amino-5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-pyrrole-3-carbonitrile
Chemical Structure Depiction of
2-amino-5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-pyrrole-3-carbonitrile
2-amino-5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-pyrrole-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-8749 |
| Compound Name: | 2-amino-5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-pyrrole-3-carbonitrile |
| Molecular Weight: | 227.26 |
| Molecular Formula: | C13 H13 N3 O |
| Smiles: | Cc1c(C#N)c(N)[nH]c1Cc1ccc(cc1)O |
| Stereo: | ACHIRAL |
| logP: | 1.4778 |
| logD: | 1.476 |
| logSw: | -1.2325 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 66.237 |
| InChI Key: | JYYPESRCNSYWKX-UHFFFAOYSA-N |