2-amino-4-(3-hydroxyphenyl)-7-nitro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-hydroxyphenyl)-7-nitro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(3-hydroxyphenyl)-7-nitro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-0322 |
| Compound Name: | 2-amino-4-(3-hydroxyphenyl)-7-nitro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 309.28 |
| Molecular Formula: | C16 H11 N3 O4 |
| Smiles: | C(C1C(c2cccc(c2)O)c2ccc(cc2OC=1N)[N+]([O-])=O)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4183 |
| logD: | 2.4146 |
| logSw: | -2.2426 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.292 |
| InChI Key: | KSEGFJUAMDAVCA-OAHLLOKOSA-N |