3-nitro-4-[(prop-2-en-1-yl)amino]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-nitro-4-[(prop-2-en-1-yl)amino]-2H-1-benzopyran-2-one
3-nitro-4-[(prop-2-en-1-yl)amino]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0206-0023 |
| Compound Name: | 3-nitro-4-[(prop-2-en-1-yl)amino]-2H-1-benzopyran-2-one |
| Molecular Weight: | 246.22 |
| Molecular Formula: | C12 H10 N2 O4 |
| Smiles: | C=CCNC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6134 |
| logD: | 0.7695 |
| logSw: | -2.4424 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.006 |
| InChI Key: | WSCNXEOJFHGSDD-UHFFFAOYSA-N |