1-(3-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}phenyl)ethan-1-one
1-(3-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8008-6697 |
| Compound Name: | 1-(3-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}phenyl)ethan-1-one |
| Molecular Weight: | 312.28 |
| Molecular Formula: | C16 H12 N2 O5 |
| Smiles: | CC(c1cccc(c1)/N=C/c1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6721 |
| logD: | 2.6721 |
| logSw: | -3.0981 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.389 |
| InChI Key: | RBXCNTAWOUJFBZ-UHFFFAOYSA-N |