3-nitro-4-(pentylamino)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-nitro-4-(pentylamino)-2H-1-benzopyran-2-one
3-nitro-4-(pentylamino)-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | 0206-0026 |
Compound Name: | 3-nitro-4-(pentylamino)-2H-1-benzopyran-2-one |
Molecular Weight: | 276.29 |
Molecular Formula: | C14 H16 N2 O4 |
Smiles: | CCCCCNC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.8951 |
logD: | 2.7492 |
logSw: | -3.5753 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.006 |
InChI Key: | FFINZIBGHYIICK-UHFFFAOYSA-N |